1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide

C25H30N4O3 — CID 43929323

About 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43929323) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
• PubChem CID: 43929323
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
• SMILES: CC(C)Oc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4ccccc4)no3)C2)cc1
• InChI: InChI=1S/C25H30N4O3/c1-18(2)31-22-12-10-19(11-13-22)15-26-25(30)21-9-6-14-29(16-21)17-23-27-24(28-32-23)20-7-4-3-5-8-20/h3-5,7-8,10-13,18,21H,6,9,14-17H2,1-2H3,(H,26,30)
• InChIKey: LRIVRWWEEBCZLT-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide (CID 43929323) is 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide is CC(C)Oc1ccc(CNC(=O)C2CCCN(Cc3nc(-c4ccccc4)no3)C2)cc1.

What is the InChIKey of 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide?

The InChIKey is LRIVRWWEEBCZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18(2)31-22-12-10-19(11-13-22)15-26-25(30)21-9-6-14-29(16-21)17-23-27-24(28-32-23)20-7-4-3-5-8-20/h3-5,7-8,10-13,18,21H,6,9,14-17H2,1-2H3,(H,26,30).

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

1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43929323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).