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A1BQI

Summary
Name:(3S)-1-[(2,3-dihydro-1,4-benzodioxin-5-yl)acetyl]piperidine-3-carboxamide
Formula:C16 H20 N2 O4
Formal charge:0
Formula weight:304.341 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2,3-dihydro-1,4-benzodioxin-5-yl)acetyl]piperidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanoyl]piperidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCCN(C1)C(=O)Cc1cccc2OCCOc21
InChIInChI1.06InChI=1S/C16H20N2O4/c17-16(20)12-4-2-6-18(10-12)14(19)9-11-3-1-5-13-15(11)22-8-7-21-13/h1,3,5,12H,2,4,6-10H2,(H2,17,20)/t12-/m0/s1
InChIKeyInChI1.06FRGPDZGWTMZAON-LBPRGKRZSA-N
SMILES_CANONICALCACTVS3.385NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccc3OCCOc23
SMILESCACTVS3.385NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccc3OCCOc23
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)OCCO2)CC(=O)N3CCC[C@@H](C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0c1cc(c2c(c1)OCCO2)CC(=O)N3CCCC(C3)C(=O)N

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PDB entries from 2026-02-04

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