4-[2-(3-methylphenyl)acetyl]piperazin-2-one

C13H16N2O2 — CID 55126787

IUPAC4-[2-(3-methylphenyl)acetyl]piperazin-2-one
SMILESCc1cccc(CC(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C13H16N2O2/c1-10-3-2-4-11(7-10)8-13(17)15-6-5-14-12(16)9-15/h2-4,7H,5-6,8-9H2,1H3,(H,14,16)
InChIKeyXEHTTXJIUFOJNP-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.50
Rot. Bonds2

About 4-[2-(3-methylphenyl)acetyl]piperazin-2-one

4-[2-(3-methylphenyl)acetyl]piperazin-2-one (PubChem CID 55126787) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[2-(3-methylphenyl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-methylphenyl)acetyl]piperazin-2-one
PubChem CID55126787
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-[2-(3-methylphenyl)acetyl]piperazin-2-one
SMILESCc1cccc(CC(=O)N2CCNC(=O)C2)c1
InChIInChI=1S/C13H16N2O2/c1-10-3-2-4-11(7-10)8-13(17)15-6-5-14-12(16)9-15/h2-4,7H,5-6,8-9H2,1H3,(H,14,16)
InChIKeyXEHTTXJIUFOJNP-UHFFFAOYSA-N
XLogP0.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(3-methylphenyl)methylsulfanyl]acetyl]piperazin-2-one
CID 31095104
2-(3-methylphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110755251
1-[4-(bromomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 80677729
1-(4-aminopiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 62387830
2,2-dimethyl-1-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817960
4-[2-(3-methylphenyl)-2-oxoethyl]piperazin-2-one
CID 62052117
ethane;4-[2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetyl]piperazin-2-one
CID 144504784
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
1-[4-(4-methylbenzoyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818154
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
4-(2,5-dimethylbenzoyl)piperazin-2-one
CID 31096061

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenyl)acetyl]piperazin-2-one?
The IUPAC name of 4-[2-(3-methylphenyl)acetyl]piperazin-2-one (CID 55126787) is 4-[2-(3-methylphenyl)acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(3-methylphenyl)acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-(3-methylphenyl)acetyl]piperazin-2-one is Cc1cccc(CC(=O)N2CCNC(=O)C2)c1.
What is the InChIKey of 4-[2-(3-methylphenyl)acetyl]piperazin-2-one?
The InChIKey is XEHTTXJIUFOJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-3-2-4-11(7-10)8-13(17)15-6-5-14-12(16)9-15/h2-4,7H,5-6,8-9H2,1H3,(H,14,16).
What are the key properties of 4-[2-(3-methylphenyl)acetyl]piperazin-2-one?
4-[2-(3-methylphenyl)acetyl]piperazin-2-one has a molecular weight of 232.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylphenyl)acetyl]piperazin-2-one is sourced from PubChem (CID 55126787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).