1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one

C13H16F2N2O3 — CID 72901844

IUPAC1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one
SMILESCOc1cccn(CC(=O)N2CCC(F)(F)CC2)c1=O
InChIInChI=1S/C13H16F2N2O3/c1-20-10-3-2-6-17(12(10)19)9-11(18)16-7-4-13(14,15)5-8-16/h2-3,6H,4-5,7-9H2,1H3
InChIKeyAXOVXZJLKPBDJS-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.11
Rot. Bonds3

About 1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one

1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one (PubChem CID 72901844) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one.

Molecular Properties

Compound Name1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one
PubChem CID72901844
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one
SMILESCOc1cccn(CC(=O)N2CCC(F)(F)CC2)c1=O
InChIInChI=1S/C13H16F2N2O3/c1-20-10-3-2-6-17(12(10)19)9-11(18)16-7-4-13(14,15)5-8-16/h2-3,6H,4-5,7-9H2,1H3
InChIKeyAXOVXZJLKPBDJS-UHFFFAOYSA-N
XLogP1.11
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one?
The IUPAC name of 1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one (CID 72901844) is 1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one.
What is the SMILES notation for 1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one?
The canonical SMILES for 1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one is COc1cccn(CC(=O)N2CCC(F)(F)CC2)c1=O.
What is the InChIKey of 1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one?
The InChIKey is AXOVXZJLKPBDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c1-20-10-3-2-6-17(12(10)19)9-11(18)16-7-4-13(14,15)5-8-16/h2-3,6H,4-5,7-9H2,1H3.
What are the key properties of 1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one?
1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one has a molecular weight of 286.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]-3-methoxypyridin-2-one is sourced from PubChem (CID 72901844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).