4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one

C12H12ClFN2O2 — CID 25269089

IUPAC4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccc(F)cc2Cl)CC1=O
InChIInChI=1S/C12H12ClFN2O2/c1-15-4-5-16(7-11(15)17)12(18)9-3-2-8(14)6-10(9)13/h2-3,6H,4-5,7H2,1H3
InChIKeyJHRRFWONVSWQOK-UHFFFAOYSA-N
MW270.69 g/mol
LogP1.39
Rot. Bonds1

About 4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one

4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one (PubChem CID 25269089) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one
PubChem CID25269089
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one
SMILESCN1CCN(C(=O)c2ccc(F)cc2Cl)CC1=O
InChIInChI=1S/C12H12ClFN2O2/c1-15-4-5-16(7-11(15)17)12(18)9-3-2-8(14)6-10(9)13/h2-3,6H,4-5,7H2,1H3
InChIKeyJHRRFWONVSWQOK-UHFFFAOYSA-N
XLogP1.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-fluoro-2-(3-hydroxyprop-1-ynyl)benzoyl]-1-methylpiperazin-2-one
CID 64693088
4-(5-fluoro-2-hydroxybenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102889204
1-[2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 47088369
[4-(2-chloroethyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 63395300
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
(2S)-2-amino-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]propan-1-one
CID 119307814
4-(2,5-dichloropyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 114918581
(2-chloro-4-fluorophenyl)-[3-(1-methyl-2,3-dihydropyrrol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 121419842
(2-chloro-4-fluorophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 38209263
4-(2-chloro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 25269445
(2S)-1-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-methylsulfanylpropan-1-one
CID 94413455

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one (CID 25269089) is 4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one is CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1=O.
What is the InChIKey of 4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one?
The InChIKey is JHRRFWONVSWQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c1-15-4-5-16(7-11(15)17)12(18)9-3-2-8(14)6-10(9)13/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one?
4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one has a molecular weight of 270.69 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 25269089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).