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A1BVH

Summary
Name:methyl (2R)-1-{4-[(1S)-1-hydroxyethyl]benzoyl}piperidine-2-carboxylate
Formula:C16 H21 N O4
Formal charge:0
Formula weight:291.342 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52methyl (2R)-1-{4-[(1S)-1-hydroxyethyl]benzoyl}piperidine-2-carboxylate
OpenEye OEToolkits3.1.0.0methyl (2~{R})-1-[4-[(1~{S})-1-oxidanylethyl]phenyl]carbonylpiperidine-2-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(c1ccc(cc1)C(C)O)N1CCCCC1C(=O)OC
InChIInChI1.06InChI=1S/C16H21NO4/c1-11(18)12-6-8-13(9-7-12)15(19)17-10-4-3-5-14(17)16(20)21-2/h6-9,11,14,18H,3-5,10H2,1-2H3/t11-,14+/m0/s1
InChIKeyInChI1.06NTCPJUMLESOASK-SMDDNHRTSA-N
SMILES_CANONICALCACTVS3.385COC(=O)[C@H]1CCCCN1C(=O)c2ccc(cc2)[C@H](C)O
SMILESCACTVS3.385COC(=O)[CH]1CCCCN1C(=O)c2ccc(cc2)[CH](C)O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C[C@@H](c1ccc(cc1)C(=O)N2CCCC[C@@H]2C(=O)OC)O
SMILESOpenEye OEToolkits3.1.0.0CC(c1ccc(cc1)C(=O)N2CCCCC2C(=O)OC)O

248335

PDB entries from 2026-01-28

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