N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

C26H32N6O3 — CID 121118332

About N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 121118332) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
• PubChem CID: 121118332
• Molecular Formula: C26H32N6O3
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.25
• IUPAC Name: N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
• SMILES: CCn1c(C2CCN(CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)nn(Cc2ccccc2)c1=O
• InChI: InChI=1S/C26H32N6O3/c1-3-31-25(29-32(26(31)35)17-20-7-5-4-6-8-20)21-13-15-30(16-14-21)18-24(34)28-23-11-9-22(10-12-23)27-19(2)33/h4-12,21H,3,13-18H2,1-2H3,(H,27,33)(H,28,34)
• InChIKey: ZHOOWCYQRSKINK-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 101.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?

The IUPAC name of N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (CID 121118332) is N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?

The canonical SMILES for N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is CCn1c(C2CCN(CC(=O)Nc3ccc(NC(C)=O)cc3)CC2)nn(Cc2ccccc2)c1=O.

What is the InChIKey of N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?

The InChIKey is ZHOOWCYQRSKINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-3-31-25(29-32(26(31)35)17-20-7-5-4-6-8-20)21-13-15-30(16-14-21)18-24(34)28-23-11-9-22(10-12-23)27-19(2)33/h4-12,21H,3,13-18H2,1-2H3,(H,27,33)(H,28,34).

What are the key properties of N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?

N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 476.58 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamidophenyl)-2-[4-(1-benzyl-4-ethyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 121118332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).