1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone

C21H23FN2O3 — CID 131649503

About 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone

1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone (PubChem CID 131649503) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone
• PubChem CID: 131649503
• Molecular Formula: C21H23FN2O3
• Molecular Weight: 370.42 g/mol
• Exact Mass: 370.17
• IUPAC Name: 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone
• SMILES: Cc1ccccc1CC(=O)N1CC2(CC(Oc3ncccc3F)CCO2)C1
• InChI: InChI=1S/C21H23FN2O3/c1-15-5-2-3-6-16(15)11-19(25)24-13-21(14-24)12-17(8-10-26-21)27-20-18(22)7-4-9-23-20/h2-7,9,17H,8,10-14H2,1H3
• InChIKey: XSYOYMSBBUZRRK-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 51.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.42
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone?

The IUPAC name of 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone (CID 131649503) is 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone.

What is the SMILES notation for 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone?

The canonical SMILES for 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)N1CC2(CC(Oc3ncccc3F)CCO2)C1.

What is the InChIKey of 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone?

The InChIKey is XSYOYMSBBUZRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-15-5-2-3-6-16(15)11-19(25)24-13-21(14-24)12-17(8-10-26-21)27-20-18(22)7-4-9-23-20/h2-7,9,17H,8,10-14H2,1H3.

What are the key properties of 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone?

1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 370.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[8-[(3-fluoro-2-pyridinyl)oxy]-5-oxa-2-azaspiro[3.5]nonan-2-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 131649503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).