N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide

C19H24F3N5O4 — CID 122268804

About N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide (PubChem CID 122268804) has the molecular formula C19H24F3N5O4 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
• PubChem CID: 122268804
• Molecular Formula: C19H24F3N5O4
• Molecular Weight: 443.43 g/mol
• Exact Mass: 443.18
• IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide
• SMILES: COc1ccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c(OC)c1
• InChI: InChI=1S/C19H24F3N5O4/c1-25-17(19(20,21)22)24-27(18(25)29)12-6-8-26(9-7-12)11-16(28)23-14-5-4-13(30-2)10-15(14)31-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,23,28)
• InChIKey: ZXCVSDSVGHSHEY-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 90.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.43
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide (CID 122268804) is N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide.

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

The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCC(n3nc(C(F)(F)F)n(C)c3=O)CC2)c(OC)c1.

What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide?

The InChIKey is ZXCVSDSVGHSHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O4/c1-25-17(19(20,21)22)24-27(18(25)29)12-6-8-26(9-7-12)11-16(28)23-14-5-4-13(30-2)10-15(14)31-3/h4-5,10,12H,6-9,11H2,1-3H3,(H,23,28).

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

N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide has a molecular weight of 443.43 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dimethoxyphenyl)-2-[4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 122268804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).