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

C22H28N6O — CID 7221296

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

(3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 7221296) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
• PubChem CID: 7221296
• Molecular Formula: C22H28N6O
• Molecular Weight: 392.51 g/mol
• Exact Mass: 392.23
• IUPAC Name: (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
• SMILES: CCc1c(C)nc2ncnn2c1N1CCC[C@@H](C(=O)NCCc2ccccc2)C1
• InChI: InChI=1S/C22H28N6O/c1-3-19-16(2)26-22-24-15-25-28(22)21(19)27-13-7-10-18(14-27)20(29)23-12-11-17-8-5-4-6-9-17/h4-6,8-9,15,18H,3,7,10-14H2,1-2H3,(H,23,29)/t18-/m1/s1
• InChIKey: NBYRZPXMWJPDPW-GOSISDBHSA-N
• XLogP: 2.57
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.51
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-phenylethyl)piperidine-3-carboxamide (CID 7221296) is (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-phenylethyl)piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is CCc1c(C)nc2ncnn2c1N1CCC[C@@H](C(=O)NCCc2ccccc2)C1.

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

The InChIKey is NBYRZPXMWJPDPW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N6O/c1-3-19-16(2)26-22-24-15-25-28(22)21(19)27-13-7-10-18(14-27)20(29)23-12-11-17-8-5-4-6-9-17/h4-6,8-9,15,18H,3,7,10-14H2,1-2H3,(H,23,29)/t18-/m1/s1.

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

(3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 7221296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).