N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C24H29F3N4O — CID 55712374

About N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55712374) has the molecular formula C24H29F3N4O and a molecular weight of 446.52 g/mol. Its IUPAC name is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 55712374
• Molecular Formula: C24H29F3N4O
• Molecular Weight: 446.52 g/mol
• Exact Mass: 446.23
• IUPAC Name: N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
• SMILES: O=C(NCC(c1ccccc1)N1CCCC1)C1CCCN(c2ncccc2C(F)(F)F)C1
• InChI: InChI=1S/C24H29F3N4O/c25-24(26,27)20-11-6-12-28-22(20)31-15-7-10-19(17-31)23(32)29-16-21(30-13-4-5-14-30)18-8-2-1-3-9-18/h1-3,6,8-9,11-12,19,21H,4-5,7,10,13-17H2,(H,29,32)
• InChIKey: AZJYSOVJQHHQLG-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.52
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 55712374) is N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is O=C(NCC(c1ccccc1)N1CCCC1)C1CCCN(c2ncccc2C(F)(F)F)C1.

What is the InChIKey of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is AZJYSOVJQHHQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O/c25-24(26,27)20-11-6-12-28-22(20)31-15-7-10-19(17-31)23(32)29-16-21(30-13-4-5-14-30)18-8-2-1-3-9-18/h1-3,6,8-9,11-12,19,21H,4-5,7,10,13-17H2,(H,29,32).

What are the key properties of N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide?

N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 446.52 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55712374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).