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A1BN8

Summary
Name:(3S)-1-[(1-benzothiophen-3-yl)methyl]-6-oxopiperidine-3-carboxamide
Formula:C15 H16 N2 O2 S
Formal charge:0
Formula weight:288.365 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(1-benzothiophen-3-yl)methyl]-6-oxopiperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-(1-benzothiophen-3-ylmethyl)-6-oxidanylidene-piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCC(=O)N(C1)Cc1csc2ccccc21
InChIInChI1.06InChI=1S/C15H16N2O2S/c16-15(19)10-5-6-14(18)17(7-10)8-11-9-20-13-4-2-1-3-12(11)13/h1-4,9-10H,5-8H2,(H2,16,19)/t10-/m0/s1
InChIKeyInChI1.06YMUMSINAPOHSTF-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCC(=O)N(C1)Cc2csc3ccccc23
SMILESCACTVS3.385NC(=O)[CH]1CCC(=O)N(C1)Cc2csc3ccccc23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc2c(c1)c(cs2)CN3C[C@H](CCC3=O)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1ccc2c(c1)c(cs2)CN3CC(CCC3=O)C(=O)N

248636

PDB entries from 2026-02-04

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