1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

C16H19F3N4O3S — CID 55810736

About 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 55810736) has the molecular formula C16H19F3N4O3S and a molecular weight of 404.41 g/mol. Its IUPAC name is 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
• PubChem CID: 55810736
• Molecular Formula: C16H19F3N4O3S
• Molecular Weight: 404.41 g/mol
• Exact Mass: 404.11
• IUPAC Name: 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
• SMILES: O=C(Nc1nccs1)C1CCCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)C1
• InChI: InChI=1S/C16H19F3N4O3S/c17-16(18,19)9-23-8-11(6-12(23)24)14(26)22-4-1-2-10(7-22)13(25)21-15-20-3-5-27-15/h3,5,10-11H,1-2,4,6-9H2,(H,20,21,25)
• InChIKey: UJTADJQUBPXYKJ-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 82.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.41
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?

The IUPAC name of 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 55810736) is 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide.

What is the SMILES notation for 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?

The canonical SMILES for 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is O=C(Nc1nccs1)C1CCCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)C1.

What is the InChIKey of 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?

The InChIKey is UJTADJQUBPXYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3S/c17-16(18,19)9-23-8-11(6-12(23)24)14(26)22-4-1-2-10(7-22)13(25)21-15-20-3-5-27-15/h3,5,10-11H,1-2,4,6-9H2,(H,20,21,25).

What are the key properties of 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide?

1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 404.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 55810736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).