3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

C25H21FN4O3 — CID 97082956

About 3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (PubChem CID 97082956) has the molecular formula C25H21FN4O3 and a molecular weight of 444.47 g/mol. Its IUPAC name is 3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
• PubChem CID: 97082956
• Molecular Formula: C25H21FN4O3
• Molecular Weight: 444.47 g/mol
• Exact Mass: 444.16
• IUPAC Name: 3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
• SMILES: O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1
• InChI: InChI=1S/C25H21FN4O3/c26-19-10-4-8-17(14-19)22-28-24(33-29-22)18-9-5-13-30(15-18)25(32)20-11-12-21(27-23(20)31)16-6-2-1-3-7-16/h1-4,6-8,10-12,14,18H,5,9,13,15H2,(H,27,31)/t18-/m1/s1
• InChIKey: JPKUUPKJBGNOQU-GOSISDBHSA-N
• XLogP: 4.25
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.47
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?

The IUPAC name of 3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (CID 97082956) is 3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.

What is the SMILES notation for 3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?

The canonical SMILES for 3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1.

What is the InChIKey of 3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?

The InChIKey is JPKUUPKJBGNOQU-GOSISDBHSA-N. The full InChI is InChI=1S/C25H21FN4O3/c26-19-10-4-8-17(14-19)22-28-24(33-29-22)18-9-5-13-30(15-18)25(32)20-11-12-21(27-23(20)31)16-6-2-1-3-7-16/h1-4,6-8,10-12,14,18H,5,9,13,15H2,(H,27,31)/t18-/m1/s1.

What are the key properties of 3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?

3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one has a molecular weight of 444.47 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 97082956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).