3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide

C27H34N4O3 — CID 60551762

About 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide (PubChem CID 60551762) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide.

Molecular Properties

• Compound Name: 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
• PubChem CID: 60551762
• Molecular Formula: C27H34N4O3
• Molecular Weight: 462.59 g/mol
• Exact Mass: 462.26
• IUPAC Name: 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
• SMILES: CCOc1ccc(-c2noc(CCC(=O)NCC(c3ccccc3)N3CCC(C)CC3)n2)cc1
• InChI: InChI=1S/C27H34N4O3/c1-3-33-23-11-9-22(10-12-23)27-29-26(34-30-27)14-13-25(32)28-19-24(21-7-5-4-6-8-21)31-17-15-20(2)16-18-31/h4-12,20,24H,3,13-19H2,1-2H3,(H,28,32)
• InChIKey: PKJAIEVHKYLNEG-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.59
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide?

The IUPAC name of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide (CID 60551762) is 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide.

What is the SMILES notation for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide?

The canonical SMILES for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide is CCOc1ccc(-c2noc(CCC(=O)NCC(c3ccccc3)N3CCC(C)CC3)n2)cc1.

What is the InChIKey of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide?

The InChIKey is PKJAIEVHKYLNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-3-33-23-11-9-22(10-12-23)27-29-26(34-30-27)14-13-25(32)28-19-24(21-7-5-4-6-8-21)31-17-15-20(2)16-18-31/h4-12,20,24H,3,13-19H2,1-2H3,(H,28,32).

What are the key properties of 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide?

3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide has a molecular weight of 462.59 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide is sourced from PubChem (CID 60551762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).