4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one

C14H18N2O2 — CID 24716337

IUPAC4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1C
InChIInChI=1S/C14H18N2O2/c1-10-4-6-13(7-5-10)16-9-8-15(12(3)17)11(2)14(16)18/h4-7,11H,8-9H2,1-3H3
InChIKeyUMDZUOGGNRWEOU-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.58
Rot. Bonds1

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

4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one (PubChem CID 24716337) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
PubChem CID24716337
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
SMILESCC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1C
InChIInChI=1S/C14H18N2O2/c1-10-4-6-13(7-5-10)16-9-8-15(12(3)17)11(2)14(16)18/h4-7,11H,8-9H2,1-3H3
InChIKeyUMDZUOGGNRWEOU-UHFFFAOYSA-N
XLogP1.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 93288984
(3R)-4-(cyclobutanecarbonyl)-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 93322251
(3R)-1-(4-chlorophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321834
(3S)-1-(4-bromophenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93322323
4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
CID 24715869
(3R)-3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 93321508
3-methyl-4-(4-methylbenzoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 46036191
(2R)-4-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)-3-oxopiperazine-1-carboxamide
CID 93290901
3-methyl-4-(2-methylpropanoyl)-1-(4-propan-2-ylphenyl)piperazin-2-one
CID 24715958
(3S)-1-(3,5-dimethoxyphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93321791
4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 24716399
(3S)-4-(cyclopropanecarbonyl)-1-(4-fluorophenyl)-3-methylpiperazin-2-one
CID 93321778

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one (CID 24716337) is 4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one is CC(=O)N1CCN(c2ccc(C)cc2)C(=O)C1C.
What is the InChIKey of 4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is UMDZUOGGNRWEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-4-6-13(7-5-10)16-9-8-15(12(3)17)11(2)14(16)18/h4-7,11H,8-9H2,1-3H3.
What are the key properties of 4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one?
4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 24716337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).