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

C30H32N4O4 — CID 38150009

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

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 38150009) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
• PubChem CID: 38150009
• Molecular Formula: C30H32N4O4
• Molecular Weight: 512.61 g/mol
• Exact Mass: 512.24
• IUPAC Name: 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide
• SMILES: COc1ccc(-c2noc(CN3CCC(C(=O)Nc4cccc(OCCc5ccccc5)c4)CC3)n2)cc1
• InChI: InChI=1S/C30H32N4O4/c1-36-26-12-10-23(11-13-26)29-32-28(38-33-29)21-34-17-14-24(15-18-34)30(35)31-25-8-5-9-27(20-25)37-19-16-22-6-3-2-4-7-22/h2-13,20,24H,14-19,21H2,1H3,(H,31,35)
• InChIKey: RSBXRLLAKFSDJY-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.61
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide (CID 38150009) is 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide is COc1ccc(-c2noc(CN3CCC(C(=O)Nc4cccc(OCCc5ccccc5)c4)CC3)n2)cc1.

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

The InChIKey is RSBXRLLAKFSDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-36-26-12-10-23(11-13-26)29-32-28(38-33-29)21-34-17-14-24(15-18-34)30(35)31-25-8-5-9-27(20-25)37-19-16-22-6-3-2-4-7-22/h2-13,20,24H,14-19,21H2,1H3,(H,31,35).

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

1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 5.22, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(2-phenylethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 38150009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).