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

C13H15ClN2O2 — CID 103779351

IUPAC4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one
SMILESCc1cc(Cl)ccc1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C13H15ClN2O2/c1-8-7-10(14)3-4-11(8)13(18)16-6-5-15-12(17)9(16)2/h3-4,7,9H,5-6H2,1-2H3,(H,15,17)
InChIKeyBPHSOEXKMVMWBD-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.61
Rot. Bonds1

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

4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one (PubChem CID 103779351) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one
PubChem CID103779351
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one
SMILESCc1cc(Cl)ccc1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C13H15ClN2O2/c1-8-7-10(14)3-4-11(8)13(18)16-6-5-15-12(17)9(16)2/h3-4,7,9H,5-6H2,1-2H3,(H,15,17)
InChIKeyBPHSOEXKMVMWBD-UHFFFAOYSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-2-nitrobenzoyl)-3-methylpiperazin-2-one
CID 63080255
(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
4-(3,4-dimethylbenzoyl)-3-methylpiperazin-2-one
CID 63373754
4-(4-amino-2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 63596987
4-(3,5-dichloro-2-iodobenzoyl)-3-methylpiperazin-2-one
CID 63606222
4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one
CID 171677198
3-methyl-4-(2,4,6-trimethylbenzoyl)piperazin-2-one
CID 63605892
3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 63373484
4-(2,3-difluorobenzoyl)-3-methylpiperazin-2-one
CID 63373788
4-chloro-2-(2-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 114845046
2-methyl-6-(2-methyl-3-oxopiperazine-1-carbonyl)pyridine-3-carboxylic acid
CID 63608011
4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one
CID 46994284

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one (CID 103779351) is 4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one is Cc1cc(Cl)ccc1C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one?
The InChIKey is BPHSOEXKMVMWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-7-10(14)3-4-11(8)13(18)16-6-5-15-12(17)9(16)2/h3-4,7,9H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one?
4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one has a molecular weight of 266.73 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 103779351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).