346977 <common-name>5-[(4-phenylpiperazin-1-yl)methyl]spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]</common-name> <description>5-[(4-phenylpiperazin-1-yl)methyl]spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane] is a chemical compound with the formula C27H34N4. It has an average molecular weight of 414.60 g/mol.</description> <cas>135264-70-9</cas> <pubchem-id>3077686</pubchem-id> <chemical-formula>C27H34N4</chemical-formula> <weight>414.6</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">2026-08-31T10:34:15Z</created-at> <updated-at type="dateTime">2026-08-31T10:34:15Z</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>C1CCC2(C1)C3CCCC3=NC4=CC=CC=C4N2CN5CCN(CC5)C6=CC=CC=C6</moldb-smiles> <moldb-formula>C27H34N4</moldb-formula> <moldb-inchi>InChI=1S/C27H34N4/c1-2-9-22(10-3-1)30-19-17-29(18-20-30)21-31-26-14-5-4-12-25(26)28-24-13-8-11-23(24)27(31)15-6-7-16-27/h1-5,9-10,12,14,23H,6-8,11,13,15-21H2</moldb-inchi> <moldb-inchikey>GKWJOTCJRDMLTB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">414.2783471</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.8</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>CHEM342870</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>5-[(4-phenylpiperazin-1-yl)methyl]spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]</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>CED0297325</sync-id> <structure-inchikey>GKWJOTCJRDMLTB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20c000000000000000000080000400000000000000000000000000000000100000000000000021040001000000008000000040800000400000000000000000000000000000000000000000000100000000000000000000040000000000000000000000000000000000000301008020000000000000001008000041080000008000000000000000002000000001000000000020000000000001000000040000000000000800000c0000000000000000008000000800000000000000000000000004000022010000001000000000000000200200000000010000000040000040000040000000000000000002000000000000000000000000</structure-fingerprint> 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