332964 <common-name>5-pyrrolidin-1-ylpent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate</common-name> <description>5-pyrrolidin-1-ylpent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate is a compound with the formula C22H29NO2. It has an average molecular weight of 339.50 g/mol.</description> <cas nil="true"/> <pubchem-id>212670</pubchem-id> <chemical-formula>C22H29NO2</chemical-formula> <weight>339.5</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">2026-08-30T14:12:44Z</created-at> <updated-at type="dateTime">2026-08-30T14:12:44Z</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>CC(C#CCN1CCCC1)OC(=O)C2(CCCCC2)C3=CC=CC=C3</moldb-smiles> <moldb-formula>C22H29NO2</moldb-formula> <moldb-inchi>InChI=1S/C22H29NO2/c1-19(11-10-18-23-16-8-9-17-23)25-21(24)22(14-6-3-7-15-22)20-12-4-2-5-13-20/h2,4-5,12-13,19H,3,6-9,14-18H2,1H3</moldb-inchi> <moldb-inchikey>ARCHVONCPAYDJV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">339.2198292</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>4.7</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>CHEM328857</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-pyrrolidin-1-ylpent-3-yn-2-yl 1-phenylcyclohexane-1-carboxylate</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 nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0283463</sync-id> <structure-inchikey>ARCHVONCPAYDJV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>60000100000000000400800000000000000001000000000000000000000000000000001008000000000000000000000004000100000000000000080000000000000000000008000000000000000000000020000020000100000000000000000008000000010002004000000000000000000000020100000000000000000000020800000048000000800000000001000000200000000100000000000000000000000000000000000000000000080000000002000010000800008000000000000000000000000000000000000002000000000000000080000000000200000000010000000000000800000040010000000400000000000000000002000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGwAAAIABBgBgAAAAAQMGAGAAAAAD AQYAKAAAAAIEBgAoAAAAAgQGAGAAAAACAgcAIAAAAAMGAGAAAAACAgYAYAAA AAICBgBgAAAAAgIGAGAAAAACAggAKAAAAAMCBgAoAAAAAwQIACgAAAADAgYA IAAAAAQGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAIC BkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwELAAEAAQIAAgMIAwMEAAQFAAUGAAYHAAcIAAgJAAEKAAoLIAsM KAILDQANDgAODwAPEAAQEQAREgANEwATFGgMFBVoDBUWaAwWF2gMFxhoDAkF ABINABgTaAxCAwAAAAUGBQkIBwYODxAREg0GFBUWFxgTFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:35:08Z</structure-indexed-at> </compound>