N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

C25H30N4O3 — CID 53166945

About N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53166945) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
• PubChem CID: 53166945
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
• SMILES: CCOc1ccc(C(C)NC(=O)C2CCN(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1
• InChI: InChI=1S/C25H30N4O3/c1-4-31-22-11-9-19(10-12-22)18(3)26-23(30)20-13-15-29(16-14-20)25-28-27-24(32-25)21-7-5-17(2)6-8-21/h5-12,18,20H,4,13-16H2,1-3H3,(H,26,30)
• InChIKey: RJKZKYKKJXKWPU-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?

The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53166945) is N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is CCOc1ccc(C(C)NC(=O)C2CCN(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1.

What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?

The InChIKey is RJKZKYKKJXKWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-4-31-22-11-9-19(10-12-22)18(3)26-23(30)20-13-15-29(16-14-20)25-28-27-24(32-25)21-7-5-17(2)6-8-21/h5-12,18,20H,4,13-16H2,1-3H3,(H,26,30).

What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?

N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-ethoxyphenyl)ethyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53166945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).