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A1B1M

Summary
Name:(3S)-1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
Formula:C15 H20 N2 O4
Formal charge:0
Formula weight:292.33 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-6-oxopiperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[(2~{S})-2-(2-methoxyphenyl)-2-oxidanyl-ethyl]-6-oxidanylidene-piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OC(CN1CC(CCC1=O)C(N)=O)c1ccccc1OC
InChIInChI1.06InChI=1S/C15H20N2O4/c1-21-13-5-3-2-4-11(13)12(18)9-17-8-10(15(16)20)6-7-14(17)19/h2-5,10,12,18H,6-9H2,1H3,(H2,16,20)/t10-,12-/m0/s1
InChIKeyInChI1.06COPNVNDXUDILLN-JQWIXIFHSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1[C@H](O)CN2C[C@H](CCC2=O)C(N)=O
SMILESCACTVS3.385COc1ccccc1[CH](O)CN2C[CH](CCC2=O)C(N)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0COc1ccccc1[C@@H](CN2C[C@H](CCC2=O)C(=O)N)O
SMILESOpenEye OEToolkits3.1.0.0COc1ccccc1C(CN2CC(CCC2=O)C(=O)N)O

248636

PDB entries from 2026-02-04

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