336962 <common-name>3-[4-(2-methylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one</common-name> <description>3-[4-(2-methylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one is a chemical compound with the formula C23H30N2O4. It has an average molecular weight of 398.50 g/mol.</description> <cas nil="true"/> <pubchem-id>204682</pubchem-id> <chemical-formula>C23H30N2O4</chemical-formula> <weight>398.5</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">2026-08-30T19:37:30Z</created-at> <updated-at type="dateTime">2026-08-30T19:37:30Z</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=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC(=C(C(=C3)OC)OC)OC</moldb-smiles> <moldb-formula>C23H30N2O4</moldb-formula> <moldb-inchi>InChI=1S/C23H30N2O4/c1-17-7-5-6-8-19(17)25-13-11-24(12-14-25)10-9-20(26)18-15-21(27-2)23(29-4)22(16-18)28-3/h5-8,15-16H,9-14H2,1-4H3</moldb-inchi> <moldb-inchikey>IGNSNIIOJWBFTP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">398.2205574</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.4</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>CHEM332855</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>3-[4-(2-methylphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-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">6</paper-count> <sync-id>CED0039851</sync-id> <structure-inchikey>IGNSNIIOJWBFTP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2080000000000000000000000000000000000001000040000000200000000000040000000000000000010000080000004000000000000000000000000000000000010000000000002000000000010000000000000000000000000001000000004000000050000000000002010000000000000000000000000000004000000080000000000000400000000000010000000000000000000000010000000000000000000008410000000000000010000000a000000800000080000408000000010000000000010000000000040000002000000200000000010000000000000000000040000800000400000001000020000001000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@h�������@h�������@(�������(�������`�������`������� ������`�������`�������`�������`�������(�������(������@(������@h�������@(������@(������@(������@h��������(�������`�������(�������`�������(�������`�����������h���h���h���h���h��� ���� � � ����� � �������(��� ��h���h���h���h���h��� ����� ����� �����h������h�B������������� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:38:12Z</structure-indexed-at> </compound>