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A1BRP

Summary
Name:(3S)-1-[(2-chloro-5-fluorophenyl)acetyl]piperidine-3-carboxamide
Formula:C14 H16 Cl F N2 O2
Formal charge:0
Formula weight:298.74 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2-chloro-5-fluorophenyl)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(2-chloranyl-5-fluoranyl-phenyl)ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1cc(F)ccc1Cl)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C14H16ClFN2O2/c15-12-4-3-11(16)6-10(12)7-13(19)18-5-1-2-9(8-18)14(17)20/h3-4,6,9H,1-2,5,7-8H2,(H2,17,20)/t9-/m0/s1
InChIKeyInChI1.06YWIKMGDPLBZNIQ-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cc(F)ccc2Cl
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2cc(F)ccc2Cl
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c(cc1F)CC(=O)N2CCC[C@@H](C2)C(=O)N)Cl
SMILESOpenEye OEToolkits3.1.0.0c1cc(c(cc1F)CC(=O)N2CCCC(C2)C(=O)N)Cl

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PDB entries from 2026-02-04

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