(3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one

C19H25F3N2O3 — CID 95204042

About (3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one

(3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one (PubChem CID 95204042) has the molecular formula C19H25F3N2O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is (3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

• Compound Name: (3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
• PubChem CID: 95204042
• Molecular Formula: C19H25F3N2O3
• Molecular Weight: 386.41 g/mol
• Exact Mass: 386.18
• IUPAC Name: (3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
• SMILES: COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCCC(F)(F)C3)C2=O)c1
• InChI: InChI=1S/C19H25F3N2O3/c1-27-15-4-5-16(20)14(10-15)11-24-9-2-6-18(26,17(24)25)12-23-8-3-7-19(21,22)13-23/h4-5,10,26H,2-3,6-9,11-13H2,1H3/t18-/m1/s1
• InChIKey: UQRBJVYOBWNONW-GOSISDBHSA-N
• XLogP: 2.42
• TPSA: 53.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.41
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one?

The IUPAC name of (3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one (CID 95204042) is (3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one.

What is the SMILES notation for (3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one?

The canonical SMILES for (3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one is COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCCC(F)(F)C3)C2=O)c1.

What is the InChIKey of (3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one?

The InChIKey is UQRBJVYOBWNONW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25F3N2O3/c1-27-15-4-5-16(20)14(10-15)11-24-9-2-6-18(26,17(24)25)12-23-8-3-7-19(21,22)13-23/h4-5,10,26H,2-3,6-9,11-13H2,1H3/t18-/m1/s1.

What are the key properties of (3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one?

(3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one has a molecular weight of 386.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 95204042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).