N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C22H23ClN4O3S — CID 3666320

About N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3666320) has the molecular formula C22H23ClN4O3S and a molecular weight of 458.97 g/mol. Its IUPAC name is N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• PubChem CID: 3666320
• Molecular Formula: C22H23ClN4O3S
• Molecular Weight: 458.97 g/mol
• Exact Mass: 458.12
• IUPAC Name: N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
• SMILES: COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2N2CCCCC2)o1
• InChI: InChI=1S/C22H23ClN4O3S/c1-29-18-11-4-3-8-15(18)21-25-26-22(30-21)31-14-19(28)24-17-10-7-9-16(23)20(17)27-12-5-2-6-13-27/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,24,28)
• InChIKey: GHOPTAMESGBHGL-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.97
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3666320) is N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

What is the SMILES notation for N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The canonical SMILES for N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2N2CCCCC2)o1.

What is the InChIKey of N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

The InChIKey is GHOPTAMESGBHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3S/c1-29-18-11-4-3-8-15(18)21-25-26-22(30-21)31-14-19(28)24-17-10-7-9-16(23)20(17)27-12-5-2-6-13-27/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,24,28).

What are the key properties of N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?

N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 458.97 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chloro-2-piperidin-1-ylphenyl)-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3666320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).