2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone

C21H23FN2O3 — CID 124794398

About 2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone

2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone (PubChem CID 124794398) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
• PubChem CID: 124794398
• Molecular Formula: C21H23FN2O3
• Molecular Weight: 370.42 g/mol
• Exact Mass: 370.17
• IUPAC Name: 2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone
• SMILES: O=C(Cc1ccc(F)cc1)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1
• InChI: InChI=1S/C21H23FN2O3/c22-18-5-3-16(4-6-18)10-20(25)24-14-21(15-24)11-19(7-9-27-21)26-13-17-2-1-8-23-12-17/h1-6,8,12,19H,7,9-11,13-15H2/t19-/m0/s1
• InChIKey: RLZRHUVEVBHMFN-IBGZPJMESA-N
• XLogP: 2.74
• TPSA: 51.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.42
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?

The IUPAC name of 2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone (CID 124794398) is 2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone.

What is the SMILES notation for 2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?

The canonical SMILES for 2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CC2(C[C@@H](OCc3cccnc3)CCO2)C1.

What is the InChIKey of 2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?

The InChIKey is RLZRHUVEVBHMFN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23FN2O3/c22-18-5-3-16(4-6-18)10-20(25)24-14-21(15-24)11-19(7-9-27-21)26-13-17-2-1-8-23-12-17/h1-6,8,12,19H,7,9-11,13-15H2/t19-/m0/s1.

What are the key properties of 2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone?

2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone has a molecular weight of 370.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-1-[(8S)-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]ethanone is sourced from PubChem (CID 124794398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).