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

C18H26N4O2S — CID 43935254

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

N-(2-methylbutan-2-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 43935254) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-methylbutan-2-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 43935254
• Molecular Formula: C18H26N4O2S
• Molecular Weight: 362.50 g/mol
• Exact Mass: 362.18
• IUPAC Name: N-(2-methylbutan-2-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
• SMILES: CCC(C)(C)NC(=O)C1CCCN(Cc2nc(-c3cccs3)no2)C1
• InChI: InChI=1S/C18H26N4O2S/c1-4-18(2,3)20-17(23)13-7-5-9-22(11-13)12-15-19-16(21-24-15)14-8-6-10-25-14/h6,8,10,13H,4-5,7,9,11-12H2,1-3H3,(H,20,23)
• InChIKey: GMIURNBRENYYEV-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.50
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(2-methylbutan-2-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 43935254) is N-(2-methylbutan-2-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

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

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

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

The InChIKey is GMIURNBRENYYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-4-18(2,3)20-17(23)13-7-5-9-22(11-13)12-15-19-16(21-24-15)14-8-6-10-25-14/h6,8,10,13H,4-5,7,9,11-12H2,1-3H3,(H,20,23).

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

N-(2-methylbutan-2-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylbutan-2-yl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43935254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).