1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

C19H23N7O — CID 72865254

About 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one

1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 72865254) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
• PubChem CID: 72865254
• Molecular Formula: C19H23N7O
• Molecular Weight: 365.44 g/mol
• Exact Mass: 365.20
• IUPAC Name: 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
• SMILES: CC(C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)n1cncn1
• InChI: InChI=1S/C19H23N7O/c1-15(26-14-20-13-23-26)19(27)24-9-5-16(6-10-24)18-22-8-11-25(18)12-17-4-2-3-7-21-17/h2-4,7-8,11,13-16H,5-6,9-10,12H2,1H3
• InChIKey: JAFXBUPLGPDSBX-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 81.73 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.44
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?

The IUPAC name of 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one (CID 72865254) is 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one.

What is the SMILES notation for 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?

The canonical SMILES for 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is CC(C(=O)N1CCC(c2nccn2Cc2ccccn2)CC1)n1cncn1.

What is the InChIKey of 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?

The InChIKey is JAFXBUPLGPDSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O/c1-15(26-14-20-13-23-26)19(27)24-9-5-16(6-10-24)18-22-8-11-25(18)12-17-4-2-3-7-21-17/h2-4,7-8,11,13-16H,5-6,9-10,12H2,1H3.

What are the key properties of 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one?

1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 365.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 72865254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).