A1BFA

4-acetylpiperazine-1-carboxamide

Created:2024-11-04
Last modified:  2024-11-27

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count0
Bond Count25
Aromatic Bond Count0
2D diagram of A1BFA

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Chemical Component Summary

Name4-acetylpiperazine-1-carboxamide
Systematic Name (OpenEye OEToolkits)4-ethanoylpiperazine-1-carboxamide
FormulaC7 H13 N3 O2
Molecular Weight171.197
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(N)N1CCN(CC1)C(C)=O
SMILESCACTVS3.385CC(=O)N1CCN(CC1)C(N)=O
SMILESOpenEye OEToolkits3.1.0.0CC(=O)N1CCN(CC1)C(=O)N
Canonical SMILESCACTVS3.385 CC(=O)N1CCN(CC1)C(N)=O
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC(=O)N1CCN(CC1)C(=O)N
InChIInChI1.06 InChI=1S/C7H13N3O2/c1-6(11)9-2-4-10(5-3-9)7(8)12/h2-5H2,1H3,(H2,8,12)
InChIKeyInChI1.06 DBVCCTKTVHHAAW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 4830276