3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

C27H28N2O2 — CID 121195473

About 3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (PubChem CID 121195473) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.

Molecular Properties

• Compound Name: 3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
• PubChem CID: 121195473
• Molecular Formula: C27H28N2O2
• Molecular Weight: 412.53 g/mol
• Exact Mass: 412.22
• IUPAC Name: 3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
• SMILES: O=C(CC(c1ccccc1)c1ccccc1)N1C2CCC1CC(Oc1ccccn1)C2
• InChI: InChI=1S/C27H28N2O2/c30-27(19-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21)29-22-14-15-23(29)18-24(17-22)31-26-13-7-8-16-28-26/h1-13,16,22-25H,14-15,17-19H2
• InChIKey: GXYWEYLBYLEZBJ-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 42.43 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.53
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?

The IUPAC name of 3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (CID 121195473) is 3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.

What is the SMILES notation for 3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?

The canonical SMILES for 3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1C2CCC1CC(Oc1ccccn1)C2.

What is the InChIKey of 3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?

The InChIKey is GXYWEYLBYLEZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c30-27(19-25(20-9-3-1-4-10-20)21-11-5-2-6-12-21)29-22-14-15-23(29)18-24(17-22)31-26-13-7-8-16-28-26/h1-13,16,22-25H,14-15,17-19H2.

What are the key properties of 3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?

3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one has a molecular weight of 412.53 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-diphenyl-1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is sourced from PubChem (CID 121195473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).