344979 <common-name>9-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one</common-name> <description>9-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one is a chemical compound with the formula C26H31N3O. It has an average molecular weight of 401.50 g/mol.</description> <cas>56973-04-7</cas> <pubchem-id>42075</pubchem-id> <chemical-formula>C26H31N3O</chemical-formula> <weight>401.5</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">2026-08-31T07:16:45Z</created-at> <updated-at type="dateTime">2026-08-31T07:16:45Z</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>C1CCN(CC1)CCN2CCN(CC2)C3=CC4=CC=CC=C4C(=O)C5=CC=CC=C53</moldb-smiles> <moldb-formula>C26H31N3O</moldb-formula> <moldb-inchi>InChI=1S/C26H31N3O/c30-26-22-9-3-2-8-21(22)20-25(23-10-4-5-11-24(23)26)29-18-16-28(17-19-29)15-14-27-12-6-1-7-13-27/h2-5,8-11,20H,1,6-7,12-19H2</moldb-inchi> <moldb-inchikey>ATGDXSJVBOFPPN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">401.2467126</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.4</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>CHEM340872</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>9-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-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>Organoheterocyclic compounds</superklass> <klass>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0295341</sync-id> <structure-inchikey>ATGDXSJVBOFPPN-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>2000000000000000002080000000000000000000000000000000000001000000000000000000002010000000000000000000010000000000000000000000000000040000000000000000000000000004002000000000000000000000000000000000000000000000080000000010000000000002010000000000000000000000080000000000000180000000000000400000000000010000000000000000000000010000000000000004000008000000000200004000000040a000000800000000000000040000000000000000000000000000400000000000000200000000010000000000008201000040000000000000000000000000000002000000000000</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���h���h���h���h���h���� ����h���h���h�B������������ �� ���������������������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:44:09Z</structure-indexed-at> </compound>