1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one

C14H16F2N2O2 — CID 131686707

IUPAC1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CC2CCC(C1)C2(F)F
InChIInChI=1S/C14H16F2N2O2/c15-14(16)10-4-5-11(14)8-18(7-10)13(20)9-17-6-2-1-3-12(17)19/h1-3,6,10-11H,4-5,7-9H2
InChIKeyYVSQDGZMJWLRDD-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.35
Rot. Bonds2

About 1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one

1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 131686707) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one
PubChem CID131686707
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one
SMILESO=C(Cn1ccccc1=O)N1CC2CCC(C1)C2(F)F
InChIInChI=1S/C14H16F2N2O2/c15-14(16)10-4-5-11(14)8-18(7-10)13(20)9-17-6-2-1-3-12(17)19/h1-3,6,10-11H,4-5,7-9H2
InChIKeyYVSQDGZMJWLRDD-UHFFFAOYSA-N
XLogP1.35
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one with MolForge

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Related Compounds

1-[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 45805052
1-[2-[4-[2-(Azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 55543843
1-[2-[4-(Cyclohexylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 55956227
1-[2-oxo-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 93608710
1-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 93608711
3-(8,8-Difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one
CID 131688710
6-(8,8-Difluoro-3-azabicyclo[3.2.1]octane-3-carbonyl)-1-methylpyridin-2-one
CID 131688789
1-[2-(3-Methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 133819717
1-[2-(4-Methylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 133819718
1-[2-[4-(Cyclopentanecarbonyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 133824908
1-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 133958828

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one (CID 131686707) is 1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one is O=C(Cn1ccccc1=O)N1CC2CCC(C1)C2(F)F.
What is the InChIKey of 1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is YVSQDGZMJWLRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c15-14(16)10-4-5-11(14)8-18(7-10)13(20)9-17-6-2-1-3-12(17)19/h1-3,6,10-11H,4-5,7-9H2.
What are the key properties of 1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one?
1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 282.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 131686707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).