(3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide

C24H25F3N4O — CID 95063737

About (3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide

(3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide (PubChem CID 95063737) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is (3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
• PubChem CID: 95063737
• Molecular Formula: C24H25F3N4O
• Molecular Weight: 442.49 g/mol
• Exact Mass: 442.20
• IUPAC Name: (3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide
• SMILES: CC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1
• InChI: InChI=1S/C24H25F3N4O/c1-15(2)16-9-11-18(12-10-16)28-23(32)17-6-5-13-31(14-17)22-21(24(25,26)27)29-19-7-3-4-8-20(19)30-22/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,28,32)/t17-/m1/s1
• InChIKey: HYZUIDJHDWZBSF-QGZVFWFLSA-N
• XLogP: 5.63
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.49
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide (CID 95063737) is (3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide is CC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4nc3C(F)(F)F)C2)cc1.

What is the InChIKey of (3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?

The InChIKey is HYZUIDJHDWZBSF-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-15(2)16-9-11-18(12-10-16)28-23(32)17-6-5-13-31(14-17)22-21(24(25,26)27)29-19-7-3-4-8-20(19)30-22/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3,(H,28,32)/t17-/m1/s1.

What are the key properties of (3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide?

(3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide has a molecular weight of 442.49 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(4-propan-2-ylphenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95063737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).