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A1B2J

Summary
Name:(3S)-1-[(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperidine-3-carboxamide
Formula:C16 H19 Cl N2 O4
Formal charge:0
Formula weight:338.786 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(7-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(6-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCCN(C1)C(=O)Cc1cc2OCCOc2cc1Cl
InChIInChI1.06InChI=1S/C16H19ClN2O4/c17-12-8-14-13(22-4-5-23-14)6-11(12)7-15(20)19-3-1-2-10(9-19)16(18)21/h6,8,10H,1-5,7,9H2,(H2,18,21)/t10-/m0/s1
InChIKeyInChI1.06JLLIPNXJKWLVDW-JTQLQIEISA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cc3OCCOc3cc2Cl
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2cc3OCCOc3cc2Cl
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1c(c(cc2c1OCCO2)Cl)CC(=O)N3CCC[C@@H](C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1c(c(cc2c1OCCO2)Cl)CC(=O)N3CCCC(C3)C(=O)N

248636

PDB entries from 2026-02-04

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