N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

C26H32N4O3S — CID 20904857

About N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 20904857) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 20904857
• Molecular Formula: C26H32N4O3S
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.22
• IUPAC Name: N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
• SMILES: COc1ccc(-c2noc(N3CCCC(C(=O)N(Cc4cccs4)C4CCCCC4)C3)n2)cc1
• InChI: InChI=1S/C26H32N4O3S/c1-32-22-13-11-19(12-14-22)24-27-26(33-28-24)29-15-5-7-20(17-29)25(31)30(18-23-10-6-16-34-23)21-8-3-2-4-9-21/h6,10-14,16,20-21H,2-5,7-9,15,17-18H2,1H3
• InChIKey: DLKFDRTYIYKFLB-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 71.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 20904857) is N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

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

The canonical SMILES for N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is COc1ccc(-c2noc(N3CCCC(C(=O)N(Cc4cccs4)C4CCCCC4)C3)n2)cc1.

What is the InChIKey of N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?

The InChIKey is DLKFDRTYIYKFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-32-22-13-11-19(12-14-22)24-27-26(33-28-24)29-15-5-7-20(17-29)25(31)30(18-23-10-6-16-34-23)21-8-3-2-4-9-21/h6,10-14,16,20-21H,2-5,7-9,15,17-18H2,1H3.

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

N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 20904857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).