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A1BS1

Summary
Name:(3S)-1-{[2-(difluoromethoxy)phenyl]acetyl}piperidine-3-carboxamide
Formula:C15 H18 F2 N2 O3
Formal charge:0
Formula weight:312.312 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-{[2-(difluoromethoxy)phenyl]acetyl}piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-[2-[bis(fluoranyl)methoxy]phenyl]ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1ccccc1OC(F)F)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H18F2N2O3/c16-15(17)22-12-6-2-1-4-10(12)8-13(20)19-7-3-5-11(9-19)14(18)21/h1-2,4,6,11,15H,3,5,7-9H2,(H2,18,21)/t11-/m0/s1
InChIKeyInChI1.06CNHPUFFRJJADDP-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccccc2OC(F)F
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccccc2OC(F)F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N)OC(F)F
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)CC(=O)N2CCCC(C2)C(=O)N)OC(F)F

248636

PDB entries from 2026-02-04

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