6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one

C22H22FN3O3 — CID 124993154

About 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one

6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 124993154) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 124993154
• Molecular Formula: C22H22FN3O3
• Molecular Weight: 395.43 g/mol
• Exact Mass: 395.16
• IUPAC Name: 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
• SMILES: C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(C(=O)c2cccc(=O)[nH]2)C1
• InChI: InChI=1S/C22H22FN3O3/c1-22(21-24-13-17(29-21)12-15-5-2-6-16(23)11-15)9-4-10-26(14-22)20(28)18-7-3-8-19(27)25-18/h2-3,5-8,11,13H,4,9-10,12,14H2,1H3,(H,25,27)/t22-/m0/s1
• InChIKey: PVMHTDBLMIEMNO-QFIPXVFZSA-N
• XLogP: 3.29
• TPSA: 79.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.43
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one (CID 124993154) is 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one is C[C@]1(c2ncc(Cc3cccc(F)c3)o2)CCCN(C(=O)c2cccc(=O)[nH]2)C1.

What is the InChIKey of 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is PVMHTDBLMIEMNO-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-22(21-24-13-17(29-21)12-15-5-2-6-16(23)11-15)9-4-10-26(14-22)20(28)18-7-3-8-19(27)25-18/h2-3,5-8,11,13H,4,9-10,12,14H2,1H3,(H,25,27)/t22-/m0/s1.

What are the key properties of 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one?

6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 395.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 124993154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).