N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide

C21H24N4O3S — CID 121116741

About N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide

N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 121116741) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
• PubChem CID: 121116741
• Molecular Formula: C21H24N4O3S
• Molecular Weight: 412.52 g/mol
• Exact Mass: 412.16
• IUPAC Name: N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
• SMILES: CCOc1ccc(NC(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1
• InChI: InChI=1S/C21H24N4O3S/c1-2-27-18-5-3-17(4-6-18)22-19(26)13-25-10-7-15(8-11-25)20-23-24-21(28-20)16-9-12-29-14-16/h3-6,9,12,14-15H,2,7-8,10-11,13H2,1H3,(H,22,26)
• InChIKey: MTDTZKWMCPSEFK-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.52
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?

The IUPAC name of N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (CID 121116741) is N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.

What is the SMILES notation for N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?

The canonical SMILES for N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is CCOc1ccc(NC(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1.

What is the InChIKey of N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?

The InChIKey is MTDTZKWMCPSEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-2-27-18-5-3-17(4-6-18)22-19(26)13-25-10-7-15(8-11-25)20-23-24-21(28-20)16-9-12-29-14-16/h3-6,9,12,14-15H,2,7-8,10-11,13H2,1H3,(H,22,26).

What are the key properties of N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?

N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 412.52 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 121116741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).