1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one

C13H13F2NO2 — CID 112548248

IUPAC1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one
SMILESCc1cc(C(=O)N2CCC(=O)CC2)c(F)cc1F
InChIInChI=1S/C13H13F2NO2/c1-8-6-10(12(15)7-11(8)14)13(18)16-4-2-9(17)3-5-16/h6-7H,2-5H2,1H3
InChIKeyXTDSNCXSDSVVTQ-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.08
Rot. Bonds1

About 1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one

1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one (PubChem CID 112548248) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one
PubChem CID112548248
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one
SMILESCc1cc(C(=O)N2CCC(=O)CC2)c(F)cc1F
InChIInChI=1S/C13H13F2NO2/c1-8-6-10(12(15)7-11(8)14)13(18)16-4-2-9(17)3-5-16/h6-7H,2-5H2,1H3
InChIKeyXTDSNCXSDSVVTQ-UHFFFAOYSA-N
XLogP2.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one
CID 67568721
[4-(1-bromoethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 106839331
(2,4-difluoro-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406836
[(3R)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103805029
[(3S)-3-aminopyrrolidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 103816557
1-(2,4-dimethylbenzoyl)piperidin-4-one
CID 24709834
[4-fluoro-3-(4-oxopiperidine-1-carbonyl)phenyl]boronic acid
CID 91759364
[3-fluoro-4-(4-oxopiperidine-1-carbonyl)phenyl]boronic acid
CID 91759237
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701232
5-[4-(2,5-difluoro-4-methylbenzoyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 136514431
(2-fluoro-5-hydroxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 171906066
(2,5-difluoro-4-methylphenyl)-[(1S,7R)-7-methyl-1-oxo-1,4-thiazepan-4-yl]methanone
CID 100636365

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one?
The IUPAC name of 1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one (CID 112548248) is 1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one.
What is the SMILES notation for 1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one?
The canonical SMILES for 1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one is Cc1cc(C(=O)N2CCC(=O)CC2)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one?
The InChIKey is XTDSNCXSDSVVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c1-8-6-10(12(15)7-11(8)14)13(18)16-4-2-9(17)3-5-16/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one?
1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one has a molecular weight of 253.25 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylbenzoyl)piperidin-4-one is sourced from PubChem (CID 112548248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).