T8Y

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Summary

Name:1,1'-(piperazine-1,4-diyl)di(ethan-1-one)
Formula:C8 H14 N2 O2
Formal charge:0
Molecular weight:170.209 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,1'-(piperazine-1,4-diyl)di(ethan-1-one)
OpenEye OEToolkits2.0.71-(4-ethanoylpiperazin-1-yl)ethanone

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N1(CCN(CC1)C(C)=O)C(=O)C
InChIInChI1.03InChI=1S/C8H14N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H2,1-2H3
InChIKeyInChI1.03NBQBICYRKOTWRR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N1CCN(CC1)C(C)=O
SMILESCACTVS3.385CC(=O)N1CCN(CC1)C(C)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)C(=O)C
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCN(CC1)C(=O)C
170172
PDB entries from 2020-10-21