1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one

C18H26N2O2 — CID 24716226

IUPAC1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
SMILESCc1cccc(N2CCN(C(=O)CC(C)C)C(C)C2=O)c1C
InChIInChI=1S/C18H26N2O2/c1-12(2)11-17(21)19-9-10-20(18(22)15(19)5)16-8-6-7-13(3)14(16)4/h6-8,12,15H,9-11H2,1-5H3
InChIKeyAAXNKHLDZSFRHB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.91
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one

1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (PubChem CID 24716226) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
PubChem CID24716226
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
SMILESCc1cccc(N2CCN(C(=O)CC(C)C)C(C)C2=O)c1C
InChIInChI=1S/C18H26N2O2/c1-12(2)11-17(21)19-9-10-20(18(22)15(19)5)16-8-6-7-13(3)14(16)4/h6-8,12,15H,9-11H2,1-5H3
InChIKeyAAXNKHLDZSFRHB-UHFFFAOYSA-N
XLogP2.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)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

1-(2-ethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716601
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(2-methylbenzoyl)piperazin-2-one
CID 93323237
(2R)-N-tert-butyl-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93114427
1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 24718943
(3S)-1-(2,3-dimethylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292626
3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 24715884
4-(2-methoxyacetyl)-3-methyl-1-(2-methylphenyl)piperazin-2-one
CID 24716597
1-(2,4-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24716164
(3S)-1-(1,3-benzodioxol-5-yl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 93322496
1-(2,5-dimethoxyphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one
CID 24715908
(2R)-N-(3-chlorophenyl)-4-(2,3-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93114804
(3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 93290812

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one (CID 24716226) is 1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one is Cc1cccc(N2CCN(C(=O)CC(C)C)C(C)C2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
The InChIKey is AAXNKHLDZSFRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)11-17(21)19-9-10-20(18(22)15(19)5)16-8-6-7-13(3)14(16)4/h6-8,12,15H,9-11H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one?
1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-methyl-4-(3-methylbutanoyl)piperazin-2-one is sourced from PubChem (CID 24716226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).