1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C20H20N2O4 — CID 121195310

About 1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121195310) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

• Compound Name: 1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
• PubChem CID: 121195310
• Molecular Formula: C20H20N2O4
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.14
• IUPAC Name: 1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
• SMILES: O=C(c1ccc2c(c1)OCO2)N1C2CCC1CC(Oc1ccccn1)C2
• InChI: InChI=1S/C20H20N2O4/c23-20(13-4-7-17-18(9-13)25-12-24-17)22-14-5-6-15(22)11-16(10-14)26-19-3-1-2-8-21-19/h1-4,7-9,14-16H,5-6,10-12H2
• InChIKey: ZKUDSBCTQDCJQW-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 60.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?

The IUPAC name of 1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121195310) is 1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

What is the SMILES notation for 1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?

The canonical SMILES for 1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1ccc2c(c1)OCO2)N1C2CCC1CC(Oc1ccccn1)C2.

What is the InChIKey of 1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?

The InChIKey is ZKUDSBCTQDCJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-20(13-4-7-17-18(9-13)25-12-24-17)22-14-5-6-15(22)11-16(10-14)26-19-3-1-2-8-21-19/h1-4,7-9,14-16H,5-6,10-12H2.

What are the key properties of 1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?

1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 352.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121195310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).