N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

C24H27F3N4O2 — CID 55722451

About N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide

N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55722451) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 55722451
• Molecular Formula: C24H27F3N4O2
• Molecular Weight: 460.50 g/mol
• Exact Mass: 460.21
• IUPAC Name: N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
• SMILES: O=C(NCc1cccc(C(=O)N2CCCC2)c1)C1CCCN(c2ncccc2C(F)(F)F)C1
• InChI: InChI=1S/C24H27F3N4O2/c25-24(26,27)20-9-4-10-28-21(20)31-13-5-8-19(16-31)22(32)29-15-17-6-3-7-18(14-17)23(33)30-11-1-2-12-30/h3-4,6-7,9-10,14,19H,1-2,5,8,11-13,15-16H2,(H,29,32)
• InChIKey: JROVXDIBZSPZSM-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.50
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide (CID 55722451) is N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide.

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

The canonical SMILES for N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is O=C(NCc1cccc(C(=O)N2CCCC2)c1)C1CCCN(c2ncccc2C(F)(F)F)C1.

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

The InChIKey is JROVXDIBZSPZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O2/c25-24(26,27)20-9-4-10-28-21(20)31-13-5-8-19(16-31)22(32)29-15-17-6-3-7-18(14-17)23(33)30-11-1-2-12-30/h3-4,6-7,9-10,14,19H,1-2,5,8,11-13,15-16H2,(H,29,32).

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

N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55722451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).