N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C20H21N5O3S — CID 55849670

About N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 55849670) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
• PubChem CID: 55849670
• Molecular Formula: C20H21N5O3S
• Molecular Weight: 411.49 g/mol
• Exact Mass: 411.14
• IUPAC Name: N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
• SMILES: COc1ccccc1-c1nc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)n[nH]1
• InChI: InChI=1S/C20H21N5O3S/c1-28-15-6-3-2-5-14(15)17-21-20(24-23-17)22-18(26)13-8-10-25(11-9-13)19(27)16-7-4-12-29-16/h2-7,12-13H,8-11H2,1H3,(H2,21,22,23,24,26)
• InChIKey: FYAYJFTVKLBBQQ-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.49
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?

The IUPAC name of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 55849670) is N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?

The canonical SMILES for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is COc1ccccc1-c1nc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)n[nH]1.

What is the InChIKey of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?

The InChIKey is FYAYJFTVKLBBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c1-28-15-6-3-2-5-14(15)17-21-20(24-23-17)22-18(26)13-8-10-25(11-9-13)19(27)16-7-4-12-29-16/h2-7,12-13H,8-11H2,1H3,(H2,21,22,23,24,26).

What are the key properties of N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?

N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55849670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).