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A1BSE

Summary
Name:(3S)-1-[(2H-1,3-benzodioxol-4-yl)acetyl]piperidine-3-carboxamide
Formula:C15 H18 N2 O4
Formal charge:0
Formula weight:290.314 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2H-1,3-benzodioxol-4-yl)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(1,3-benzodioxol-4-yl)ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCCN(C1)C(=O)Cc1cccc2OCOc12
InChIInChI1.06InChI=1S/C15H18N2O4/c16-15(19)11-4-2-6-17(8-11)13(18)7-10-3-1-5-12-14(10)21-9-20-12/h1,3,5,11H,2,4,6-9H2,(H2,16,19)/t11-/m0/s1
InChIKeyInChI1.06NOJSSPFVAUJASA-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccc3OCOc23
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc3OCOc23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)OCO2)CC(=O)N3CCC[C@@H](C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)OCO2)CC(=O)N3CCCC(C3)C(=O)N

248636

PDB entries from 2026-02-04

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