1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one

C16H21FN2O2 — CID 24715980

IUPAC1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C(C)C)C(C)C2=O)cc1F
InChIInChI=1S/C16H21FN2O2/c1-10(2)15(20)18-7-8-19(16(21)12(18)4)13-6-5-11(3)14(17)9-13/h5-6,9-10,12H,7-8H2,1-4H3
InChIKeyLRTWAXJQVGYZFY-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.35
Rot. Bonds2

About 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one

1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (PubChem CID 24715980) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
PubChem CID24715980
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)C(C)C)C(C)C2=O)cc1F
InChIInChI=1S/C16H21FN2O2/c1-10(2)15(20)18-7-8-19(16(21)12(18)4)13-6-5-11(3)14(17)9-13/h5-6,9-10,12H,7-8H2,1-4H3
InChIKeyLRTWAXJQVGYZFY-UHFFFAOYSA-N
XLogP2.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)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-(3-chloro-4-fluorophenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 24718908
4-(3,3-dimethylbutanoyl)-1-(3-fluoro-4-methylphenyl)-3-methylpiperazin-2-one
CID 24716462
3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 24715958
(3S)-1-(3-fluoro-4-methylphenyl)-3-methyl-4-(3-phenylpropanoyl)piperazin-2-one
CID 93290787
3-methyl-1-(2-methylphenyl)-4-(2-methylpropanoyl)piperazin-2-one
CID 24715884
(3R)-1-(3,4-dimethylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93292457
ethyl 2-[4-(3-fluoro-4-methylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 24715814
1-(3-fluoro-4-methylphenyl)-3-methylpyrrolidin-2-one
CID 118221110
1-(3-fluoro-4-methylphenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24716309
1-(3,4-dimethylphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24718836
(3R)-1-(2-ethylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 93290812
(3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one
CID 93321640

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one (CID 24715980) is 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)C(C)C)C(C)C2=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
The InChIKey is LRTWAXJQVGYZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-10(2)15(20)18-7-8-19(16(21)12(18)4)13-6-5-11(3)14(17)9-13/h5-6,9-10,12H,7-8H2,1-4H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one?
1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one has a molecular weight of 292.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one is sourced from PubChem (CID 24715980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).