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

C28H29N5O3S — CID 43935041

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

N-[2-(1-phenylethylcarbamoyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43935041) has the molecular formula C28H29N5O3S and a molecular weight of 515.64 g/mol. Its IUPAC name is N-[2-(1-phenylethylcarbamoyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1-phenylethylcarbamoyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 43935041
• Molecular Formula: C28H29N5O3S
• Molecular Weight: 515.64 g/mol
• Exact Mass: 515.20
• IUPAC Name: N-[2-(1-phenylethylcarbamoyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• SMILES: CC(NC(=O)c1ccccc1NC(=O)C1CCCN(Cc2nc(-c3cccs3)no2)C1)c1ccccc1
• InChI: InChI=1S/C28H29N5O3S/c1-19(20-9-3-2-4-10-20)29-28(35)22-12-5-6-13-23(22)30-27(34)21-11-7-15-33(17-21)18-25-31-26(32-36-25)24-14-8-16-37-24/h2-6,8-10,12-14,16,19,21H,7,11,15,17-18H2,1H3,(H,29,35)(H,30,34)
• InChIKey: YZMUKSHNZMQJNT-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 100.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.64
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-(1-phenylethylcarbamoyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43935041) is N-[2-(1-phenylethylcarbamoyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for N-[2-(1-phenylethylcarbamoyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is CC(NC(=O)c1ccccc1NC(=O)C1CCCN(Cc2nc(-c3cccs3)no2)C1)c1ccccc1.

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

The InChIKey is YZMUKSHNZMQJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3S/c1-19(20-9-3-2-4-10-20)29-28(35)22-12-5-6-13-23(22)30-27(34)21-11-7-15-33(17-21)18-25-31-26(32-36-25)24-14-8-16-37-24/h2-6,8-10,12-14,16,19,21H,7,11,15,17-18H2,1H3,(H,29,35)(H,30,34).

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

N-[2-(1-phenylethylcarbamoyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 515.64 g/mol, XLogP of 5.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-phenylethylcarbamoyl)phenyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43935041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).