N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide

C22H26N4O2S — CID 121069669

About N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide

N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide (PubChem CID 121069669) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
• PubChem CID: 121069669
• Molecular Formula: C22H26N4O2S
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.18
• IUPAC Name: N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide
• SMILES: CC(C)(C)c1ccc(NC(=O)N2CCCC(c3nnc(-c4cccs4)o3)C2)cc1
• InChI: InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-10-17(11-9-16)23-21(27)26-12-4-6-15(14-26)19-24-25-20(28-19)18-7-5-13-29-18/h5,7-11,13,15H,4,6,12,14H2,1-3H3,(H,23,27)
• InChIKey: MPUVZWDZGGZLPE-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide (CID 121069669) is N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide.

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

The canonical SMILES for N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCCC(c3nnc(-c4cccs4)o3)C2)cc1.

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

The InChIKey is MPUVZWDZGGZLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-22(2,3)16-8-10-17(11-9-16)23-21(27)26-12-4-6-15(14-26)19-24-25-20(28-19)18-7-5-13-29-18/h5,7-11,13,15H,4,6,12,14H2,1-3H3,(H,23,27).

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

N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121069669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).