(5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one

C25H30FN3O4 — CID 42438377

About (5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one

(5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one (PubChem CID 42438377) has the molecular formula C25H30FN3O4 and a molecular weight of 455.53 g/mol. Its IUPAC name is (5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one
• PubChem CID: 42438377
• Molecular Formula: C25H30FN3O4
• Molecular Weight: 455.53 g/mol
• Exact Mass: 455.22
• IUPAC Name: (5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one
• SMILES: COc1ccc(F)c(C[C@]2(CCC(=O)N3CCC(Oc4cccnc4)CC3)CCC(=O)N2)c1
• InChI: InChI=1S/C25H30FN3O4/c1-32-20-4-5-22(26)18(15-20)16-25(10-6-23(30)28-25)11-7-24(31)29-13-8-19(9-14-29)33-21-3-2-12-27-17-21/h2-5,12,15,17,19H,6-11,13-14,16H2,1H3,(H,28,30)/t25-/m1/s1
• InChIKey: ZZBDXHPPANLUCV-RUZDIDTESA-N
• XLogP: 3.27
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.53
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one?

The IUPAC name of (5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one (CID 42438377) is (5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one.

What is the SMILES notation for (5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one?

The canonical SMILES for (5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one is COc1ccc(F)c(C[C@]2(CCC(=O)N3CCC(Oc4cccnc4)CC3)CCC(=O)N2)c1.

What is the InChIKey of (5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one?

The InChIKey is ZZBDXHPPANLUCV-RUZDIDTESA-N. The full InChI is InChI=1S/C25H30FN3O4/c1-32-20-4-5-22(26)18(15-20)16-25(10-6-23(30)28-25)11-7-24(31)29-13-8-19(9-14-29)33-21-3-2-12-27-17-21/h2-5,12,15,17,19H,6-11,13-14,16H2,1H3,(H,28,30)/t25-/m1/s1.

What are the key properties of (5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one?

(5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 455.53 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(2-fluoro-5-methoxyphenyl)methyl]-5-[3-oxo-3-(4-pyridin-3-yloxypiperidin-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 42438377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).