4-(2,2-dimethylbutanoyl)piperazin-2-one

C10H18N2O2 — CID 62848971

IUPAC4-(2,2-dimethylbutanoyl)piperazin-2-one
SMILESCCC(C)(C)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H18N2O2/c1-4-10(2,3)9(14)12-6-5-11-8(13)7-12/h4-7H2,1-3H3,(H,11,13)
InChIKeyXPUYCBMCLOCMEV-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.38
Rot. Bonds2

About 4-(2,2-dimethylbutanoyl)piperazin-2-one

4-(2,2-dimethylbutanoyl)piperazin-2-one (PubChem CID 62848971) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(2,2-dimethylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylbutanoyl)piperazin-2-one
PubChem CID62848971
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(2,2-dimethylbutanoyl)piperazin-2-one
SMILESCCC(C)(C)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H18N2O2/c1-4-10(2,3)9(14)12-6-5-11-8(13)7-12/h4-7H2,1-3H3,(H,11,13)
InChIKeyXPUYCBMCLOCMEV-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylbutanoyl)piperazin-2-one?
The IUPAC name of 4-(2,2-dimethylbutanoyl)piperazin-2-one (CID 62848971) is 4-(2,2-dimethylbutanoyl)piperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethylbutanoyl)piperazin-2-one?
The canonical SMILES for 4-(2,2-dimethylbutanoyl)piperazin-2-one is CCC(C)(C)C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(2,2-dimethylbutanoyl)piperazin-2-one?
The InChIKey is XPUYCBMCLOCMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-10(2,3)9(14)12-6-5-11-8(13)7-12/h4-7H2,1-3H3,(H,11,13).
What are the key properties of 4-(2,2-dimethylbutanoyl)piperazin-2-one?
4-(2,2-dimethylbutanoyl)piperazin-2-one has a molecular weight of 198.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylbutanoyl)piperazin-2-one is sourced from PubChem (CID 62848971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).