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

C25H28F2N4O2 — CID 38144361

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

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide (PubChem CID 38144361) has the molecular formula C25H28F2N4O2 and a molecular weight of 454.52 g/mol. Its IUPAC name is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
• PubChem CID: 38144361
• Molecular Formula: C25H28F2N4O2
• Molecular Weight: 454.52 g/mol
• Exact Mass: 454.22
• IUPAC Name: 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide
• SMILES: CC(C)(C)c1ccc(-c2noc(CN3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)n2)cc1
• InChI: InChI=1S/C25H28F2N4O2/c1-25(2,3)18-6-4-16(5-7-18)23-29-22(33-30-23)15-31-12-10-17(11-13-31)24(32)28-19-8-9-20(26)21(27)14-19/h4-9,14,17H,10-13,15H2,1-3H3,(H,28,32)
• InChIKey: OKYODPHVDVQGFB-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.52
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide (CID 38144361) is 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide is CC(C)(C)c1ccc(-c2noc(CN3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)n2)cc1.

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

The InChIKey is OKYODPHVDVQGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O2/c1-25(2,3)18-6-4-16(5-7-18)23-29-22(33-30-23)15-31-12-10-17(11-13-31)24(32)28-19-8-9-20(26)21(27)14-19/h4-9,14,17H,10-13,15H2,1-3H3,(H,28,32).

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

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide has a molecular weight of 454.52 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3,4-difluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 38144361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).