4-acetyl-3-methylpiperazin-2-one

C7H12N2O2 — CID 13190467

IUPAC4-acetyl-3-methylpiperazin-2-one
SMILESCC(=O)N1CCNC(=O)C1C
InChIInChI=1S/C7H12N2O2/c1-5-7(11)8-3-4-9(5)6(2)10/h5H,3-4H2,1-2H3,(H,8,11)
InChIKeyHNLKFJJTNCLFFD-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.65
Rot. Bonds

About 4-acetyl-3-methylpiperazin-2-one

4-acetyl-3-methylpiperazin-2-one (PubChem CID 13190467) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-acetyl-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-acetyl-3-methylpiperazin-2-one
PubChem CID13190467
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name4-acetyl-3-methylpiperazin-2-one
SMILESCC(=O)N1CCNC(=O)C1C
InChIInChI=1S/C7H12N2O2/c1-5-7(11)8-3-4-9(5)6(2)10/h5H,3-4H2,1-2H3,(H,8,11)
InChIKeyHNLKFJJTNCLFFD-UHFFFAOYSA-N
XLogP-0.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-acetyl-3-methylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-bromoprop-2-ynoyl)-3-methylpiperazin-2-one
CID 131062630
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one
CID 129371182
3-methyl-4-[2-methyl-2-(methylamino)propanoyl]piperazin-2-one
CID 63608112
4-[(2S)-2-aminopropanoyl]-3-methylpiperazin-2-one
CID 63606378
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068
(2S)-3-methyl-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 63607472
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one
CID 63714193
3-methyl-4-(2-piperazin-1-ylacetyl)piperazin-2-one
CID 63606730
2-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569931

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-methylpiperazin-2-one?
The IUPAC name of 4-acetyl-3-methylpiperazin-2-one (CID 13190467) is 4-acetyl-3-methylpiperazin-2-one.
What is the SMILES notation for 4-acetyl-3-methylpiperazin-2-one?
The canonical SMILES for 4-acetyl-3-methylpiperazin-2-one is CC(=O)N1CCNC(=O)C1C.
What is the InChIKey of 4-acetyl-3-methylpiperazin-2-one?
The InChIKey is HNLKFJJTNCLFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-5-7(11)8-3-4-9(5)6(2)10/h5H,3-4H2,1-2H3,(H,8,11).
What are the key properties of 4-acetyl-3-methylpiperazin-2-one?
4-acetyl-3-methylpiperazin-2-one has a molecular weight of 156.18 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-methylpiperazin-2-one is sourced from PubChem (CID 13190467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).