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A1BSK

Summary
Name:(3R,5S)-1-[(2-chloro-6-methoxyphenyl)acetyl]-N~3~-cyclopropylpiperidine-3,5-dicarboxamide
Formula:C19 H24 Cl N3 O4
Formal charge:0
Formula weight:393.865 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3R,5S)-1-[(2-chloro-6-methoxyphenyl)acetyl]-N~3~-cyclopropylpiperidine-3,5-dicarboxamide
OpenEye OEToolkits3.1.0.0(3~{R},5~{S})-1-[2-(2-chloranyl-6-methoxy-phenyl)ethanoyl]-~{N}5-cyclopropyl-piperidine-3,5-dicarboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1c(OC)cccc1Cl)N1CC(CC(C1)C(=O)NC1CC1)C(N)=O
InChIInChI1.06InChI=1S/C19H24ClN3O4/c1-27-16-4-2-3-15(20)14(16)8-17(24)23-9-11(18(21)25)7-12(10-23)19(26)22-13-5-6-13/h2-4,11-13H,5-10H2,1H3,(H2,21,25)(H,22,26)
InChIKeyInChI1.06GPQKHKQSBRCPLG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(Cl)c1CC(=O)N2C[C@@H](C[C@@H](C2)C(=O)NC3CC3)C(N)=O
SMILESCACTVS3.385COc1cccc(Cl)c1CC(=O)N2C[CH](C[CH](C2)C(=O)NC3CC3)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1cccc(c1CC(=O)N2C[C@@H](C[C@@H](C2)C(=O)NC3CC3)C(=O)N)Cl
SMILESOpenEye OEToolkits3.1.0.0COc1cccc(c1CC(=O)N2CC(CC(C2)C(=O)NC3CC3)C(=O)N)Cl

248636

PDB entries from 2026-02-04

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