1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

C22H28N6O2 — CID 646392

About 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 646392) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 646392
• Molecular Formula: C22H28N6O2
• Molecular Weight: 408.51 g/mol
• Exact Mass: 408.23
• IUPAC Name: 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
• SMILES: CCc1c(C)nc2ncnn2c1N1CCC(C(=O)NCc2cccc(OC)c2)CC1
• InChI: InChI=1S/C22H28N6O2/c1-4-19-15(2)26-22-24-14-25-28(22)21(19)27-10-8-17(9-11-27)20(29)23-13-16-6-5-7-18(12-16)30-3/h5-7,12,14,17H,4,8-11,13H2,1-3H3,(H,23,29)
• InChIKey: YFQOYOGQJVZRLF-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.51
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 646392) is 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is CCc1c(C)nc2ncnn2c1N1CCC(C(=O)NCc2cccc(OC)c2)CC1.

What is the InChIKey of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?

The InChIKey is YFQOYOGQJVZRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-4-19-15(2)26-22-24-14-25-28(22)21(19)27-10-8-17(9-11-27)20(29)23-13-16-6-5-7-18(12-16)30-3/h5-7,12,14,17H,4,8-11,13H2,1-3H3,(H,23,29).

What are the key properties of 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide?

1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 646392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).