2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide

C25H26Cl2N4O4 — CID 4647461

About 2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide

2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide (PubChem CID 4647461) has the molecular formula C25H26Cl2N4O4 and a molecular weight of 517.41 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
• PubChem CID: 4647461
• Molecular Formula: C25H26Cl2N4O4
• Molecular Weight: 517.41 g/mol
• Exact Mass: 516.13
• IUPAC Name: 2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
• SMILES: COCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1Cl
• InChI: InChI=1S/C25H26Cl2N4O4/c1-34-15-14-30(25(33)19-6-2-3-7-20(19)27)16-22(32)31-13-5-4-8-21(31)24-28-23(29-35-24)17-9-11-18(26)12-10-17/h2-3,6-7,9-12,21H,4-5,8,13-16H2,1H3
• InChIKey: ZGZTXPTWOPVSSG-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 88.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.41
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?

The IUPAC name of 2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide (CID 4647461) is 2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide.

What is the SMILES notation for 2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?

The canonical SMILES for 2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1Cl.

What is the InChIKey of 2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?

The InChIKey is ZGZTXPTWOPVSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2N4O4/c1-34-15-14-30(25(33)19-6-2-3-7-20(19)27)16-22(32)31-13-5-4-8-21(31)24-28-23(29-35-24)17-9-11-18(26)12-10-17/h2-3,6-7,9-12,21H,4-5,8,13-16H2,1H3.

What are the key properties of 2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?

2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 517.41 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 4647461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).