(4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone

C23H34N6O — CID 53203316

About (4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone

(4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone (PubChem CID 53203316) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
• PubChem CID: 53203316
• Molecular Formula: C23H34N6O
• Molecular Weight: 410.57 g/mol
• Exact Mass: 410.28
• IUPAC Name: (4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone
• SMILES: Cc1cccc2nnc(N3CCCC(C(=O)N4CCN(C5CCCCC5)CC4)C3)n12
• InChI: InChI=1S/C23H34N6O/c1-18-7-5-11-21-24-25-23(29(18)21)28-12-6-8-19(17-28)22(30)27-15-13-26(14-16-27)20-9-3-2-4-10-20/h5,7,11,19-20H,2-4,6,8-10,12-17H2,1H3
• InChIKey: GZRYWWRFKIXEKS-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 56.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.57
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone?

The IUPAC name of (4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone (CID 53203316) is (4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone.

What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone?

The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone is Cc1cccc2nnc(N3CCCC(C(=O)N4CCN(C5CCCCC5)CC4)C3)n12.

What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone?

The InChIKey is GZRYWWRFKIXEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-18-7-5-11-21-24-25-23(29(18)21)28-12-6-8-19(17-28)22(30)27-15-13-26(14-16-27)20-9-3-2-4-10-20/h5,7,11,19-20H,2-4,6,8-10,12-17H2,1H3.

What are the key properties of (4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone?

(4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone has a molecular weight of 410.57 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-cyclohexylpiperazin-1-yl)-[1-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 53203316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).