N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

C20H24N6O2 — CID 43816828

About N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 43816828) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
• PubChem CID: 43816828
• Molecular Formula: C20H24N6O2
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.20
• IUPAC Name: N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
• SMILES: COc1ccccc1CNC(=O)C1CCCN(c2cc(C)nc3ncnn23)C1
• InChI: InChI=1S/C20H24N6O2/c1-14-10-18(26-20(24-14)22-13-23-26)25-9-5-7-16(12-25)19(27)21-11-15-6-3-4-8-17(15)28-2/h3-4,6,8,10,13,16H,5,7,9,11-12H2,1-2H3,(H,21,27)
• InChIKey: HUJMWXSJBKQLPU-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (CID 43816828) is N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is COc1ccccc1CNC(=O)C1CCCN(c2cc(C)nc3ncnn23)C1.

What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

The InChIKey is HUJMWXSJBKQLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-10-18(26-20(24-14)22-13-23-26)25-9-5-7-16(12-25)19(27)21-11-15-6-3-4-8-17(15)28-2/h3-4,6,8,10,13,16H,5,7,9,11-12H2,1-2H3,(H,21,27).

What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-methoxyphenyl)methyl]-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43816828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).