4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one

C13H15ClN2O2 — CID 25269445

IUPAC4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one
SMILESCc1cccc(C(=O)N2CCN(C)C(=O)C2)c1Cl
InChIInChI=1S/C13H15ClN2O2/c1-9-4-3-5-10(12(9)14)13(18)16-7-6-15(2)11(17)8-16/h3-5H,6-8H2,1-2H3
InChIKeyUVKVGGVEBBUADQ-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.56
Rot. Bonds1

About 4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one

4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one (PubChem CID 25269445) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one
PubChem CID25269445
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one
SMILESCc1cccc(C(=O)N2CCN(C)C(=O)C2)c1Cl
InChIInChI=1S/C13H15ClN2O2/c1-9-4-3-5-10(12(9)14)13(18)16-7-6-15(2)11(17)8-16/h3-5H,6-8H2,1-2H3
InChIKeyUVKVGGVEBBUADQ-UHFFFAOYSA-N
XLogP1.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-6-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682560
4-(2-chloropyridine-3-carbonyl)-1-methyl-1,4-diazepan-2-one
CID 102848032
[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 166358091
1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
CID 104615092
4-(2-amino-3-chlorobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888142
4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one
CID 25269089
1-methyl-4-[2-(methylamino)pyridine-3-carbonyl]piperazin-2-one
CID 29149627
4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682422
4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 114918581
4-(2-fluoro-6-hydroxybenzoyl)-1-methylpiperazin-2-one
CID 104917774
1-methyl-4-(5-methyl-1H-pyrazole-4-carbonyl)piperazin-2-one
CID 64694556
4-[5-(3-hydroxyprop-1-ynyl)-2-methylbenzoyl]-1-methylpiperazin-2-one
CID 65311302

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one (CID 25269445) is 4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one is Cc1cccc(C(=O)N2CCN(C)C(=O)C2)c1Cl.
What is the InChIKey of 4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one?
The InChIKey is UVKVGGVEBBUADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9-4-3-5-10(12(9)14)13(18)16-7-6-15(2)11(17)8-16/h3-5H,6-8H2,1-2H3.
What are the key properties of 4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one?
4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one has a molecular weight of 266.73 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 25269445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).