3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one

C14H16F2N2O2 — CID 131702359

IUPAC3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one
SMILESCn1cccc(C(=O)N2CCC3(CC2)CC3(F)F)c1=O
InChIInChI=1S/C14H16F2N2O2/c1-17-6-2-3-10(11(17)19)12(20)18-7-4-13(5-8-18)9-14(13,15)16/h2-3,6H,4-5,7-9H2,1H3
InChIKeySDFNWNQFNWULSW-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.65
Rot. Bonds1

About 3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one

3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one (PubChem CID 131702359) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one
PubChem CID131702359
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one
SMILESCn1cccc(C(=O)N2CCC3(CC2)CC3(F)F)c1=O
InChIInChI=1S/C14H16F2N2O2/c1-17-6-2-3-10(11(17)19)12(20)18-7-4-13(5-8-18)9-14(13,15)16/h2-3,6H,4-5,7-9H2,1H3
InChIKeySDFNWNQFNWULSW-UHFFFAOYSA-N
XLogP1.65
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one with MolForge

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Related Compounds

3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 110692777
3-[(3R)-3-hydroxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129470841
1-methyl-3-(9-methyl-2,9-diazaspiro[5.5]undecane-2-carbonyl)pyridin-2-one
CID 155874685
3-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 56902436
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(2,6-difluorophenyl)methanone
CID 131703355
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 131704030
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110692830
3-[4-[(2S)-2-hydroxy-3,3-dimethylbutyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 95316272
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
3-acetyl-1-methylpyridin-2-one
CID 82527252
3-[4-(2-hydroxy-4-methylpentanoyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one
CID 134696920
1-methyl-3-(2-phenylspiro[5,6-dihydropyrano[3,4-d]pyrimidine-8,4'-piperidine]-1'-carbonyl)pyridin-2-one
CID 176503813

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one (CID 131702359) is 3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one is Cn1cccc(C(=O)N2CCC3(CC2)CC3(F)F)c1=O.
What is the InChIKey of 3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one?
The InChIKey is SDFNWNQFNWULSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-17-6-2-3-10(11(17)19)12(20)18-7-4-13(5-8-18)9-14(13,15)16/h2-3,6H,4-5,7-9H2,1H3.
What are the key properties of 3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one?
3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one has a molecular weight of 282.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-6-azaspiro[2.5]octane-6-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 131702359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).