N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

C25H27F3N4O2 — CID 121069721

About N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide

N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 121069721) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
• PubChem CID: 121069721
• Molecular Formula: C25H27F3N4O2
• Molecular Weight: 472.51 g/mol
• Exact Mass: 472.21
• IUPAC Name: N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
• SMILES: CC(C)(C)c1ccc(NC(=O)N2CCCC(c3nnc(-c4ccc(C(F)(F)F)cc4)o3)C2)cc1
• InChI: InChI=1S/C25H27F3N4O2/c1-24(2,3)18-10-12-20(13-11-18)29-23(33)32-14-4-5-17(15-32)22-31-30-21(34-22)16-6-8-19(9-7-16)25(26,27)28/h6-13,17H,4-5,14-15H2,1-3H3,(H,29,33)
• InChIKey: AUYHJTMHBVWZOD-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.51
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?

The IUPAC name of N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide (CID 121069721) is N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?

The canonical SMILES for N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCCC(c3nnc(-c4ccc(C(F)(F)F)cc4)o3)C2)cc1.

What is the InChIKey of N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?

The InChIKey is AUYHJTMHBVWZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2/c1-24(2,3)18-10-12-20(13-11-18)29-23(33)32-14-4-5-17(15-32)22-31-30-21(34-22)16-6-8-19(9-7-16)25(26,27)28/h6-13,17H,4-5,14-15H2,1-3H3,(H,29,33).

What are the key properties of N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide?

N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 121069721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).