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

C20H20N8O — CID 55629140

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

[3-methyl-4-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 55629140) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
• PubChem CID: 55629140
• Molecular Formula: C20H20N8O
• Molecular Weight: 388.44 g/mol
• Exact Mass: 388.18
• IUPAC Name: [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
• SMILES: Cc1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)ccc1-n1cnnn1
• InChI: InChI=1S/C20H20N8O/c1-14-12-16(5-6-17(14)28-13-21-24-25-28)20(29)26-10-7-15(8-11-26)19-23-22-18-4-2-3-9-27(18)19/h2-6,9,12-13,15H,7-8,10-11H2,1H3
• InChIKey: ROUHCSVQGYNYMS-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 94.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.44
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 55629140) is [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

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

The canonical SMILES for [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)ccc1-n1cnnn1.

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

The InChIKey is ROUHCSVQGYNYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-14-12-16(5-6-17(14)28-13-21-24-25-28)20(29)26-10-7-15(8-11-26)19-23-22-18-4-2-3-9-27(18)19/h2-6,9,12-13,15H,7-8,10-11H2,1H3.

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

[3-methyl-4-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 388.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-methyl-4-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 55629140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).