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A1BOV

Summary
Name:(3S)-N~1~-(2-chloro-3-methoxyphenyl)piperidine-1,3-dicarboxamide
Formula:C14 H18 Cl N3 O3
Formal charge:0
Formula weight:311.764 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-N~1~-(2-chloro-3-methoxyphenyl)piperidine-1,3-dicarboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-~{N}1-(2-chloranyl-3-methoxy-phenyl)piperidine-1,3-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1cccc(OC)c1Cl)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C14H18ClN3O3/c1-21-11-6-2-5-10(12(11)15)17-14(20)18-7-3-4-9(8-18)13(16)19/h2,5-6,9H,3-4,7-8H2,1H3,(H2,16,19)(H,17,20)/t9-/m0/s1
InChIKeyInChI1.06DFGLJBPMZPVSMK-VIFPVBQESA-N
SMILES_CANONICALCACTVS3.385COc1cccc(NC(=O)N2CCC[C@@H](C2)C(N)=O)c1Cl
SMILESCACTVS3.385COc1cccc(NC(=O)N2CCC[CH](C2)C(N)=O)c1Cl
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1cccc(c1Cl)NC(=O)N2CCC[C@@H](C2)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0COc1cccc(c1Cl)NC(=O)N2CCCC(C2)C(=O)N

248636

PDB entries from 2026-02-04

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