3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one

C16H22N2O2 — CID 63605872

IUPAC3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one
SMILESCc1ccccc1CCC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C16H22N2O2/c1-12-6-4-5-7-13(12)8-9-14(19)18-11-10-17-15(20)16(18,2)3/h4-7H,8-11H2,1-3H3,(H,17,20)
InChIKeyVQDAFVICKAHRRE-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.66
Rot. Bonds3

About 3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one

3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one (PubChem CID 63605872) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one
PubChem CID63605872
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one
SMILESCc1ccccc1CCC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C16H22N2O2/c1-12-6-4-5-7-13(12)8-9-14(19)18-11-10-17-15(20)16(18,2)3/h4-7H,8-11H2,1-3H3,(H,17,20)
InChIKeyVQDAFVICKAHRRE-UHFFFAOYSA-N
XLogP1.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-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

3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 65460524
4-[2-(4-hydroxyphenyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63608438
4-[(4S)-4-amino-4-phenylbutanoyl]-3,3-dimethylpiperazin-2-one
CID 124555736
4-[4-(benzenesulfonyl)butanoyl]-3,3-dimethylpiperazin-2-one
CID 16863880
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
CID 63606717
4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one
CID 63608228
1-[2-(2-methylphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162637914
3,3-dimethyl-4-[2-[2-(methylamino)ethyl]benzoyl]piperazin-2-one
CID 104547897
4-[2-(2-chloro-6-fluorophenyl)acetyl]-3,3-dimethylpiperazin-2-one
CID 63362537
2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide
CID 53017589

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one (CID 63605872) is 3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one is Cc1ccccc1CCC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one?
The InChIKey is VQDAFVICKAHRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-6-4-5-7-13(12)8-9-14(19)18-11-10-17-15(20)16(18,2)3/h4-7H,8-11H2,1-3H3,(H,17,20).
What are the key properties of 3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one?
3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one has a molecular weight of 274.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one is sourced from PubChem (CID 63605872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).