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

C23H28N4O3S — CID 43935252

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

N-[1-(2-methylphenoxy)propan-2-yl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43935252) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[1-(2-methylphenoxy)propan-2-yl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-methylphenoxy)propan-2-yl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 43935252
• Molecular Formula: C23H28N4O3S
• Molecular Weight: 440.57 g/mol
• Exact Mass: 440.19
• IUPAC Name: N-[1-(2-methylphenoxy)propan-2-yl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• SMILES: Cc1ccccc1OCC(C)NC(=O)C1CCCN(Cc2nc(-c3cccs3)no2)C1
• InChI: InChI=1S/C23H28N4O3S/c1-16-7-3-4-9-19(16)29-15-17(2)24-23(28)18-8-5-11-27(13-18)14-21-25-22(26-30-21)20-10-6-12-31-20/h3-4,6-7,9-10,12,17-18H,5,8,11,13-15H2,1-2H3,(H,24,28)
• InChIKey: AFHDCJDFKPXWLV-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.57
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-(2-methylphenoxy)propan-2-yl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43935252) is N-[1-(2-methylphenoxy)propan-2-yl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

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

The canonical SMILES for N-[1-(2-methylphenoxy)propan-2-yl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is Cc1ccccc1OCC(C)NC(=O)C1CCCN(Cc2nc(-c3cccs3)no2)C1.

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

The InChIKey is AFHDCJDFKPXWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-16-7-3-4-9-19(16)29-15-17(2)24-23(28)18-8-5-11-27(13-18)14-21-25-22(26-30-21)20-10-6-12-31-20/h3-4,6-7,9-10,12,17-18H,5,8,11,13-15H2,1-2H3,(H,24,28).

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

N-[1-(2-methylphenoxy)propan-2-yl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-methylphenoxy)propan-2-yl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43935252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).