1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide

C24H21F6N5O2 — CID 71682509

About 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide

1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide (PubChem CID 71682509) has the molecular formula C24H21F6N5O2 and a molecular weight of 525.45 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
• PubChem CID: 71682509
• Molecular Formula: C24H21F6N5O2
• Molecular Weight: 525.45 g/mol
• Exact Mass: 525.16
• IUPAC Name: 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
• SMILES: Cn1cnnc1-c1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1
• InChI: InChI=1S/C24H21F6N5O2/c1-34-13-31-33-20(34)14-4-2-6-19(10-14)32-21(36)15-5-3-7-35(12-15)22(37)16-8-17(23(25,26)27)11-18(9-16)24(28,29)30/h2,4,6,8-11,13,15H,3,5,7,12H2,1H3,(H,32,36)
• InChIKey: SFRGTVPZEJNDRV-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.45
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide?

The IUPAC name of 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide (CID 71682509) is 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide is Cn1cnnc1-c1cccc(NC(=O)C2CCCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)c1.

What is the InChIKey of 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide?

The InChIKey is SFRGTVPZEJNDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F6N5O2/c1-34-13-31-33-20(34)14-4-2-6-19(10-14)32-21(36)15-5-3-7-35(12-15)22(37)16-8-17(23(25,26)27)11-18(9-16)24(28,29)30/h2,4,6,8-11,13,15H,3,5,7,12H2,1H3,(H,32,36).

What are the key properties of 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide?

1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 525.45 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,5-bis(trifluoromethyl)benzoyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 71682509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).