4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one

C13H15FN2O2 — CID 64680512

IUPAC4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
SMILESCc1ccc(F)c(C(=O)N2CCN(C)C(=O)C2)c1
InChIInChI=1S/C13H15FN2O2/c1-9-3-4-11(14)10(7-9)13(18)16-6-5-15(2)12(17)8-16/h3-4,7H,5-6,8H2,1-2H3
InChIKeyZCKPGADPYJVJMM-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.05
Rot. Bonds1

About 4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one

4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one (PubChem CID 64680512) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
PubChem CID64680512
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
SMILESCc1ccc(F)c(C(=O)N2CCN(C)C(=O)C2)c1
InChIInChI=1S/C13H15FN2O2/c1-9-3-4-11(14)10(7-9)13(18)16-6-5-15(2)12(17)8-16/h3-4,7H,5-6,8H2,1-2H3
InChIKeyZCKPGADPYJVJMM-UHFFFAOYSA-N
XLogP1.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64682422
4-(4-fluoro-3-methylbenzoyl)-1-methylpiperazin-2-one
CID 64679893
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
4-(2-amino-5-methylbenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888140
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 62515821
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835
4-(2-chloro-4-fluorobenzoyl)-1-methylpiperazin-2-one
CID 25269089
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
4-(2-fluoro-5-nitrobenzoyl)-1-methyl-1,4-diazepan-2-one
CID 102888779
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one (CID 64680512) is 4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one is Cc1ccc(F)c(C(=O)N2CCN(C)C(=O)C2)c1.
What is the InChIKey of 4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one?
The InChIKey is ZCKPGADPYJVJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9-3-4-11(14)10(7-9)13(18)16-6-5-15(2)12(17)8-16/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one?
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one has a molecular weight of 250.27 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 64680512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).