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A1BSC

Summary
Name:(3S)-1-{[2-(hydroxymethyl)phenyl]acetyl}piperidine-3-carboxamide
Formula:C15 H20 N2 O3
Formal charge:0
Formula weight:276.331 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Cc1ccccc1CO)N1CCCC(C1)C(N)=O
InChIInChI1.06InChI=1S/C15H20N2O3/c16-15(20)12-6-3-7-17(9-12)14(19)8-11-4-1-2-5-13(11)10-18/h1-2,4-5,12,18H,3,6-10H2,(H2,16,20)/t12-/m0/s1
InChIKeyInChI1.06ZCVSMWFZKMVPLV-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2ccccc2CO
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2ccccc2CO
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)CC(=O)N2CCC[C@@H](C2)C(=O)N)CO
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)CC(=O)N2CCCC(C2)C(=O)N)CO

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PDB entries from 2026-02-04

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