1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one

C14H15F2NO2 — CID 114499849

IUPAC1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one
SMILESCc1ccc(F)c(C(=O)N2CCC(=O)C(C)C2)c1F
InChIInChI=1S/C14H15F2NO2/c1-8-3-4-10(15)12(13(8)16)14(19)17-6-5-11(18)9(2)7-17/h3-4,9H,5-7H2,1-2H3
InChIKeyVAQSWTUSGWMEDB-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.32
Rot. Bonds1

About 1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one

1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one (PubChem CID 114499849) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one
PubChem CID114499849
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one
SMILESCc1ccc(F)c(C(=O)N2CCC(=O)C(C)C2)c1F
InChIInChI=1S/C14H15F2NO2/c1-8-3-4-10(15)12(13(8)16)14(19)17-6-5-11(18)9(2)7-17/h3-4,9H,5-7H2,1-2H3
InChIKeyVAQSWTUSGWMEDB-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 82816607
(3-chloro-4-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 102961430
(3-aminopyrrolidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82815863
1-(2,5-dimethylbenzoyl)-3-methylpiperidin-4-one
CID 114499914
(3-amino-5-methylpiperidin-1-yl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82816396
[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 56875020
(2,6-difluoro-3-methylphenyl)-piperazin-1-ylmethanone
CID 82814419
3-methyl-1-(3-methylpyridine-2-carbonyl)piperidin-4-one
CID 114499935
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile
CID 82814599
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 56869344
[3-(2-chloroethyl)piperidin-1-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 82816079

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one (CID 114499849) is 1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one is Cc1ccc(F)c(C(=O)N2CCC(=O)C(C)C2)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one?
The InChIKey is VAQSWTUSGWMEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-8-3-4-10(15)12(13(8)16)14(19)17-6-5-11(18)9(2)7-17/h3-4,9H,5-7H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one?
1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one has a molecular weight of 267.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylbenzoyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 114499849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).