2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C17H24FN3O3 — CID 131662176

About 2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 131662176) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

• Compound Name: 2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
• PubChem CID: 131662176
• Molecular Formula: C17H24FN3O3
• Molecular Weight: 337.40 g/mol
• Exact Mass: 337.18
• IUPAC Name: 2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
• SMILES: CN(C)CC(=O)N1CCC2(CC1)CC(Oc1ncccc1F)CO2
• InChI: InChI=1S/C17H24FN3O3/c1-20(2)11-15(22)21-8-5-17(6-9-21)10-13(12-23-17)24-16-14(18)4-3-7-19-16/h3-4,7,13H,5-6,8-12H2,1-2H3
• InChIKey: KSJJWPZQURLPDT-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 54.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.40
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

The IUPAC name of 2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 131662176) is 2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

What is the SMILES notation for 2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

The canonical SMILES for 2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is CN(C)CC(=O)N1CCC2(CC1)CC(Oc1ncccc1F)CO2.

What is the InChIKey of 2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

The InChIKey is KSJJWPZQURLPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-20(2)11-15(22)21-8-5-17(6-9-21)10-13(12-23-17)24-16-14(18)4-3-7-19-16/h3-4,7,13H,5-6,8-12H2,1-2H3.

What are the key properties of 2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?

2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 337.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-1-[3-[(3-fluoro-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 131662176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).