4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one

C14H17ClN2O2 — CID 24716399

IUPAC4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one
SMILESCC(=O)N1CCN(c2ccc(Cl)cc2C)C(=O)C1C
InChIInChI=1S/C14H17ClN2O2/c1-9-8-12(15)4-5-13(9)17-7-6-16(11(3)18)10(2)14(17)19/h4-5,8,10H,6-7H2,1-3H3
InChIKeyLFVBCXOKZLEORP-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.23
Rot. Bonds1

About 4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one

4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one (PubChem CID 24716399) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one
PubChem CID24716399
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one
SMILESCC(=O)N1CCN(c2ccc(Cl)cc2C)C(=O)C1C
InChIInChI=1S/C14H17ClN2O2/c1-9-8-12(15)4-5-13(9)17-7-6-16(11(3)18)10(2)14(17)19/h4-5,8,10H,6-7H2,1-3H3
InChIKeyLFVBCXOKZLEORP-UHFFFAOYSA-N
XLogP2.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(4-chloro-2-methylphenyl)-3-methyl-4-(4-methylbenzoyl)piperazin-2-one
CID 93323347
(3S)-4-acetyl-1-(4-chlorophenyl)-3-methylpiperazin-2-one
CID 93288984
4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
CID 24715869
(3R)-4-(4-chlorobenzoyl)-1-(5-chloro-2-methylphenyl)-3-methylpiperazin-2-one
CID 93322917
4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 24715930
(3S)-1-(5-chloro-2-methylphenyl)-4-(3,3-dimethylbutanoyl)-3-methylpiperazin-2-one
CID 93292612
(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93322023
(3R)-1-(5-chloro-2-methylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93322209
4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 24716337
(3S)-1-(4-chloro-2-methylphenyl)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 93323635
4-(cyclobutanecarbonyl)-1-(2,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 24716206
1-(5-chloro-2-methylphenyl)-4-(3,5-dimethoxybenzoyl)-3-methylpiperazin-2-one
CID 46036357

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one (CID 24716399) is 4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one is CC(=O)N1CCN(c2ccc(Cl)cc2C)C(=O)C1C.
What is the InChIKey of 4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one?
The InChIKey is LFVBCXOKZLEORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-8-12(15)4-5-13(9)17-7-6-16(11(3)18)10(2)14(17)19/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of 4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one?
4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one has a molecular weight of 280.75 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-(4-chloro-2-methylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24716399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).