8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one

C22H24FN3O — CID 72914510

About 8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one

8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72914510) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 72914510
• Molecular Formula: C22H24FN3O
• Molecular Weight: 365.45 g/mol
• Exact Mass: 365.19
• IUPAC Name: 8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
• SMILES: O=C1CC2(CCN(c3ccncc3F)CC2)CN1C/C=C/c1ccccc1
• InChI: InChI=1S/C22H24FN3O/c23-19-16-24-11-8-20(19)25-13-9-22(10-14-25)15-21(27)26(17-22)12-4-7-18-5-2-1-3-6-18/h1-8,11,16H,9-10,12-15,17H2/b7-4+
• InChIKey: WSZZBRYEBAJORL-QPJJXVBHSA-N
• XLogP: 3.75
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.45
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72914510) is 8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(c3ccncc3F)CC2)CN1C/C=C/c1ccccc1.

What is the InChIKey of 8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is WSZZBRYEBAJORL-QPJJXVBHSA-N. The full InChI is InChI=1S/C22H24FN3O/c23-19-16-24-11-8-20(19)25-13-9-22(10-14-25)15-21(27)26(17-22)12-4-7-18-5-2-1-3-6-18/h1-8,11,16H,9-10,12-15,17H2/b7-4+.

What are the key properties of 8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?

8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 365.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72914510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).