331971 <common-name>1-(4-fluorophenyl)-4-[4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl]butan-1-one</common-name> <description>1-(4-fluorophenyl)-4-[4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl]butan-1-one is a chemical compound with the formula C22H26FN3O4. It has an average molecular weight of 415.50 g/mol.</description> <cas nil="true"/> <pubchem-id>218650</pubchem-id> <chemical-formula>C22H26FN3O4</chemical-formula> <weight>415.5</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">2026-08-30T13:00:56Z</created-at> <updated-at type="dateTime">2026-08-30T13:00:56Z</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>C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CCOC3=CC=CC=C3[N+](=O)[O-]</moldb-smiles> <moldb-formula>C22H26FN3O4</moldb-formula> <moldb-inchi>InChI=1S/C22H26FN3O4/c23-19-9-7-18(8-10-19)21(27)5-3-11-24-12-14-25(15-13-24)16-17-30-22-6-2-1-4-20(22)26(28)29/h1-2,4,6-10H,3,5,11-17H2</moldb-inchi> <moldb-inchikey>OMNVNVSTBSQTOI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">415.1907345</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.3</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>CHEM327864</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>1-(4-fluorophenyl)-4-[4-[2-(2-nitrophenoxy)ethyl]piperazin-1-yl]butan-1-one</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>Organic oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbonyl compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0282498</sync-id> <structure-inchikey>OMNVNVSTBSQTOI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000000000000002080200000000000000000080000000000000000000000000000000000000000002000200000000000000000000000000000000000000000000400000000000000000000000000002400000000011000180000000040000000000001000000020000000000000000000002010000000000000000000000000000002000000080000000000000400000000000110000000000000000040000000000000000000000000008400000200000000018000000a000000002000000000008000000000000200000000000020000044000000000000200000000010000000000800000000040000000010400800000001020000000000000000004</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`�������`������� ������`�������`������� ������`�������`�������`�������(�������(������@(������@h�������@h�������@(������@h�������@h������ � ������`�������`�������(������@(������@h�������@h�������@h�������@h�������@(������ *��������(������ *���ÿ���������������������������� � (� � ��h�� h� �h���h���h��������������� ��h���h���h���h���h��� ��(��� �����h���h�B������������� ���������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:34:20Z</structure-indexed-at> </compound>