321735 <common-name>[4-(2-methyl-5-nitrobenzoyl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone</common-name> <description>[4-(2-methyl-5-nitrobenzoyl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone is a chemical compound with the formula C20H20N4O6. It has an average molecular weight of 412.40 g/mol.</description> <cas>882864-16-6</cas> <pubchem-id>51056308</pubchem-id> <chemical-formula>C20H20N4O6</chemical-formula> <weight>412.4</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">2026-08-29T21:22:57Z</created-at> <updated-at type="dateTime">2026-08-29T21:22:57Z</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>CC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C</moldb-smiles> <moldb-formula>C20H20N4O6</moldb-formula> <moldb-inchi>InChI=1S/C20H20N4O6/c1-13-3-5-15(23(27)28)11-17(13)19(25)21-7-9-22(10-8-21)20(26)18-12-16(24(29)30)6-4-14(18)2/h3-6,11-12H,7-10H2,1-2H3</moldb-inchi> <moldb-inchikey>NMDDVHFHJYNBQQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">412.1382844</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.7</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>CHEM317628</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-(2-methyl-5-nitrobenzoyl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone</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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Nitrobenzenes</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0272452</sync-id> <structure-inchikey>NMDDVHFHJYNBQQ-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000000000000000000000000000000000000000000000000000000020000000000000001000000000400010000000010000000200000000100000000000030102000008000000000000000000000040000000000000000000000000000000001000000000000000000020000000000000000000000000080100000000000000000000008000008000000000000000000004000000000000000000000000100000002000000200000000000000420000000000000040000000000400000800001000000100004000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ�������������������� ���€���`������@(������@(������@h�������@(������@h�������@h������� *��������(������ *���ÿ����(�������(�������(�������`�������`�������(�������`�������`�������(�������(������@(������@(������@h�������@h�������@(������@h������� *��������(������ *���ÿ����`�����������h���h���h���h���h��� ��(�� � �(� � � � ������������� ��(��� ��h���h���h���h���h��� ��(��� �����h������h�B������������ ����������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:26:29Z</structure-indexed-at> </compound>