1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one

C20H18F3N5O3 — CID 154833761

About 1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one

1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 154833761) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
• PubChem CID: 154833761
• Molecular Formula: C20H18F3N5O3
• Molecular Weight: 433.39 g/mol
• Exact Mass: 433.14
• IUPAC Name: 1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one
• SMILES: O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC(c2nc(-c3ccccn3)no2)CC1
• InChI: InChI=1S/C20H18F3N5O3/c21-20(22,23)14-4-3-9-28(19(14)30)12-16(29)27-10-6-13(7-11-27)18-25-17(26-31-18)15-5-1-2-8-24-15/h1-5,8-9,13H,6-7,10-12H2
• InChIKey: NPVJUXIJSKRUOD-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 94.12 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.39
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one?

The IUPAC name of 1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one (CID 154833761) is 1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one.

What is the SMILES notation for 1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one?

The canonical SMILES for 1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one is O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC(c2nc(-c3ccccn3)no2)CC1.

What is the InChIKey of 1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one?

The InChIKey is NPVJUXIJSKRUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c21-20(22,23)14-4-3-9-28(19(14)30)12-16(29)27-10-6-13(7-11-27)18-25-17(26-31-18)15-5-1-2-8-24-15/h1-5,8-9,13H,6-7,10-12H2.

What are the key properties of 1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one?

1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 433.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-oxo-2-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 154833761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).