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A1BQA

Summary
Name:(3S)-1-[(7R)-5-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl]piperidine-3-carboxamide
Formula:C15 H17 Cl N2 O2
Formal charge:0
Formula weight:292.761 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(7R)-5-chlorobicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[[(7~{S})-5-chloranyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl]carbonyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(C1Cc2cccc(Cl)c21)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H17ClN2O2/c16-12-5-1-3-9-7-11(13(9)12)15(20)18-6-2-4-10(8-18)14(17)19/h1,3,5,10-11H,2,4,6-8H2,(H2,17,19)/t10-,11+/m0/s1
InChIKeyInChI1.06PSMBGTQKKMWRON-WDEREUQCSA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)[C@H]2Cc3cccc(Cl)c23
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)[CH]2Cc3cccc(Cl)c23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc2c(c(c1)Cl)[C@H](C2)C(=O)N3CCC[C@@H](C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cc2c(c(c1)Cl)C(C2)C(=O)N3CCCC(C3)C(=O)N

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PDB entries from 2026-02-04

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