1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide

C22H27N5O2S — CID 53166201

About 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide

1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide (PubChem CID 53166201) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
• PubChem CID: 53166201
• Molecular Formula: C22H27N5O2S
• Molecular Weight: 425.56 g/mol
• Exact Mass: 425.19
• IUPAC Name: 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide
• SMILES: CCc1nc(-c2cccnc2N2CCCC(C(=O)NC(CC)c3cccs3)C2)no1
• InChI: InChI=1S/C22H27N5O2S/c1-3-17(18-10-7-13-30-18)24-22(28)15-8-6-12-27(14-15)21-16(9-5-11-23-21)20-25-19(4-2)29-26-20/h5,7,9-11,13,15,17H,3-4,6,8,12,14H2,1-2H3,(H,24,28)
• InChIKey: OZMDAFYPDRZWDA-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.56
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide (CID 53166201) is 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide is CCc1nc(-c2cccnc2N2CCCC(C(=O)NC(CC)c3cccs3)C2)no1.

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

The InChIKey is OZMDAFYPDRZWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-3-17(18-10-7-13-30-18)24-22(28)15-8-6-12-27(14-15)21-16(9-5-11-23-21)20-25-19(4-2)29-26-20/h5,7,9-11,13,15,17H,3-4,6,8,12,14H2,1-2H3,(H,24,28).

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

1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide has a molecular weight of 425.56 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]-N-(1-thiophen-2-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 53166201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).