cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C21H27FN2O3 — CID 124787571

About cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 124787571) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

• Compound Name: cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
• PubChem CID: 124787571
• Molecular Formula: C21H27FN2O3
• Molecular Weight: 374.46 g/mol
• Exact Mass: 374.20
• IUPAC Name: cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
• SMILES: O=C(C1CC=CC1)N1CCC2(CC1)OCC[C@H]2CCOc1ncccc1F
• InChI: InChI=1S/C21H27FN2O3/c22-18-6-3-11-23-19(18)26-14-7-17-8-15-27-21(17)9-12-24(13-10-21)20(25)16-4-1-2-5-16/h1-3,6,11,16-17H,4-5,7-10,12-15H2/t17-/m1/s1
• InChIKey: CVCQTVRWOIBKAK-QGZVFWFLSA-N
• XLogP: 3.35
• 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	374.46
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?

The IUPAC name of cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 124787571) is cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

What is the SMILES notation for cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?

The canonical SMILES for cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is O=C(C1CC=CC1)N1CCC2(CC1)OCC[C@H]2CCOc1ncccc1F.

What is the InChIKey of cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?

The InChIKey is CVCQTVRWOIBKAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27FN2O3/c22-18-6-3-11-23-19(18)26-14-7-17-8-15-27-21(17)9-12-24(13-10-21)20(25)16-4-1-2-5-16/h1-3,6,11,16-17H,4-5,7-10,12-15H2/t17-/m1/s1.

What are the key properties of cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?

cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 374.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopent-3-en-1-yl-[(4S)-4-[2-[(3-fluoro-2-pyridinyl)oxy]ethyl]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 124787571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).