1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone

C19H22N4O2 — CID 49195447

About 1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone

1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 49195447) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: 1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone
• PubChem CID: 49195447
• Molecular Formula: C19H22N4O2
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.17
• IUPAC Name: 1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone
• SMILES: O=C(c1ccc2c(c1)COC2)N1CCC(c2nnc3n2CCC3)CC1
• InChI: InChI=1S/C19H22N4O2/c24-19(14-3-4-15-11-25-12-16(15)10-14)22-8-5-13(6-9-22)18-21-20-17-2-1-7-23(17)18/h3-4,10,13H,1-2,5-9,11-12H2
• InChIKey: WHIHWVTVCRMSHB-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 60.25 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone?

The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone (CID 49195447) is 1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone.

What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone?

The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone is O=C(c1ccc2c(c1)COC2)N1CCC(c2nnc3n2CCC3)CC1.

What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone?

The InChIKey is WHIHWVTVCRMSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(14-3-4-15-11-25-12-16(15)10-14)22-8-5-13(6-9-22)18-21-20-17-2-1-7-23(17)18/h3-4,10,13H,1-2,5-9,11-12H2.

What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone?

1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dihydro-2-benzofuran-5-yl-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 49195447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).