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

C28H29N5O5 — CID 38148811

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

N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (PubChem CID 38148811) has the molecular formula C28H29N5O5 and a molecular weight of 515.57 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 38148811
• Molecular Formula: C28H29N5O5
• Molecular Weight: 515.57 g/mol
• Exact Mass: 515.22
• IUPAC Name: N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
• SMILES: COc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NCc4ccco4)CC3)n2)cc1
• InChI: InChI=1S/C28H29N5O5/c1-36-21-10-8-19(9-11-21)26-31-25(38-32-26)18-33-14-12-20(13-15-33)27(34)30-24-7-3-2-6-23(24)28(35)29-17-22-5-4-16-37-22/h2-11,16,20H,12-15,17-18H2,1H3,(H,29,35)(H,30,34)
• InChIKey: NMFABWQIGLOLQA-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 122.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.57
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide (CID 38148811) is N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide.

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

The canonical SMILES for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is COc1ccc(-c2noc(CN3CCC(C(=O)Nc4ccccc4C(=O)NCc4ccco4)CC3)n2)cc1.

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

The InChIKey is NMFABWQIGLOLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O5/c1-36-21-10-8-19(9-11-21)26-31-25(38-32-26)18-33-14-12-20(13-15-33)27(34)30-24-7-3-2-6-23(24)28(35)29-17-22-5-4-16-37-22/h2-11,16,20H,12-15,17-18H2,1H3,(H,29,35)(H,30,34).

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

N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide has a molecular weight of 515.57 g/mol, XLogP of 4.12, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 38148811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).