4-(2,5-dimethylbenzoyl)piperazin-2-one

C13H16N2O2 — CID 31096061

IUPAC4-(2,5-dimethylbenzoyl)piperazin-2-one
SMILESCc1ccc(C)c(C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C13H16N2O2/c1-9-3-4-10(2)11(7-9)13(17)15-6-5-14-12(16)8-15/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyFFNKGNRJJYSGBA-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.88
Rot. Bonds1

About 4-(2,5-dimethylbenzoyl)piperazin-2-one

4-(2,5-dimethylbenzoyl)piperazin-2-one (PubChem CID 31096061) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(2,5-dimethylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,5-dimethylbenzoyl)piperazin-2-one
PubChem CID31096061
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(2,5-dimethylbenzoyl)piperazin-2-one
SMILESCc1ccc(C)c(C(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C13H16N2O2/c1-9-3-4-10(2)11(7-9)13(17)15-6-5-14-12(16)8-15/h3-4,7H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyFFNKGNRJJYSGBA-UHFFFAOYSA-N
XLogP0.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-5-methylbenzoyl)piperazin-2-one
CID 62510710
1,4-diazepan-1-yl-(2,5-dimethylphenyl)methanone
CID 18071803
4-(3-methyl-2-nitrobenzoyl)piperazin-2-one
CID 31094939
(2,5-dimethylphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79506872
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
4-(3-fluoro-2-methylbenzoyl)piperazin-2-one
CID 121419784
4-(2-hydroxy-5-methoxybenzoyl)piperazin-2-one
CID 60718067
4-(4-bromo-2-fluorobenzoyl)piperazin-2-one
CID 24701148
1-[5-methyl-2-(triazol-2-yl)benzoyl]-1,4-diazepan-5-one
CID 118870555
1-(2,5-dimethylbenzoyl)-5-oxopiperazine-2-carboxylic acid
CID 107433064
4-(6-methoxy-2-methylquinoline-3-carbonyl)piperazin-2-one
CID 35787500
4-(2,4,6-trimethylbenzoyl)-1,4-diazepan-2-one
CID 65361106

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylbenzoyl)piperazin-2-one?
The IUPAC name of 4-(2,5-dimethylbenzoyl)piperazin-2-one (CID 31096061) is 4-(2,5-dimethylbenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(2,5-dimethylbenzoyl)piperazin-2-one?
The canonical SMILES for 4-(2,5-dimethylbenzoyl)piperazin-2-one is Cc1ccc(C)c(C(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-(2,5-dimethylbenzoyl)piperazin-2-one?
The InChIKey is FFNKGNRJJYSGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-3-4-10(2)11(7-9)13(17)15-6-5-14-12(16)8-15/h3-4,7H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of 4-(2,5-dimethylbenzoyl)piperazin-2-one?
4-(2,5-dimethylbenzoyl)piperazin-2-one has a molecular weight of 232.28 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylbenzoyl)piperazin-2-one is sourced from PubChem (CID 31096061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).