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

C22H28N6O2 — CID 7407437

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

(3R)-N-[(2-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 7407437) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is (3R)-N-[(2-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(2-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
• PubChem CID: 7407437
• Molecular Formula: C22H28N6O2
• Molecular Weight: 408.51 g/mol
• Exact Mass: 408.23
• IUPAC Name: (3R)-N-[(2-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
• SMILES: CCCc1cc(N2CCC[C@@H](C(=O)NCc3ccccc3OC)C2)n2ncnc2n1
• InChI: InChI=1S/C22H28N6O2/c1-3-7-18-12-20(28-22(26-18)24-15-25-28)27-11-6-9-17(14-27)21(29)23-13-16-8-4-5-10-19(16)30-2/h4-5,8,10,12,15,17H,3,6-7,9,11,13-14H2,1-2H3,(H,23,29)/t17-/m1/s1
• InChIKey: CQLOEOUKEHXBLM-QGZVFWFLSA-N
• XLogP: 2.62
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.51
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (3R)-N-[(2-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (CID 7407437) is (3R)-N-[(2-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

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

The canonical SMILES for (3R)-N-[(2-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is CCCc1cc(N2CCC[C@@H](C(=O)NCc3ccccc3OC)C2)n2ncnc2n1.

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

The InChIKey is CQLOEOUKEHXBLM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-3-7-18-12-20(28-22(26-18)24-15-25-28)27-11-6-9-17(14-27)21(29)23-13-16-8-4-5-10-19(16)30-2/h4-5,8,10,12,15,17H,3,6-7,9,11,13-14H2,1-2H3,(H,23,29)/t17-/m1/s1.

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

(3R)-N-[(2-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2-methoxyphenyl)methyl]-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 7407437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).