336720 <common-name>[4-[4-nitro-2,5-di(propan-2-yloxy)phenyl]piperazin-1-yl]-phenylmethanone</common-name> <description>[4-[4-nitro-2,5-di(propan-2-yloxy)phenyl]piperazin-1-yl]-phenylmethanone is a chemical compound with the formula C23H29N3O5. It has an average molecular weight of 427.50 g/mol.</description> <cas>68901-00-8</cas> <pubchem-id>111719</pubchem-id> <chemical-formula>C23H29N3O5</chemical-formula> <weight>427.5</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-08-30T19:16:06Z</created-at> <updated-at type="dateTime">2026-08-30T19:16:06Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>CC(C)OC1=CC(=C(C=C1N2CCN(CC2)C(=O)C3=CC=CC=C3)OC(C)C)[N+](=O)[O-]</moldb-smiles> <moldb-formula>C23H29N3O5</moldb-formula> <moldb-inchi>InChI=1S/C23H29N3O5/c1-16(2)30-21-15-20(26(28)29)22(31-17(3)4)14-19(21)24-10-12-25(13-11-24)23(27)18-8-6-5-7-9-18/h5-9,14-17H,10-13H2,1-4H3</moldb-inchi> <moldb-inchikey>IWWDKAGTBGEQKT-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">427.210721</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.3</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM332613</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[4-[4-nitro-2,5-di(propan-2-yloxy)phenyl]piperazin-1-yl]-phenylmethanone</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0287177</sync-id> <structure-inchikey>IWWDKAGTBGEQKT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000000000000000000000000000000000000000000000000000010040000004001000000000000000002000000004000100000000000000000000004080000000000010000000000000000000000020008000000100001800000000400000000000010000000a00000000108000000000020102000000000000002000000000000040000000800000000000000000000000001100000000000000000000000100000000000000000000084000000000000000000000008000008900000000000000000004000000000000000000000000000000000002000200000000000000000000000000000040000000000400000000001020204000004000000000</structure-fingerprint> 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