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

C22H26N4O — CID 72843442

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

8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72843442) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 72843442
• Molecular Formula: C22H26N4O
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.21
• IUPAC Name: 8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
• SMILES: Cc1nccc(N2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)n1
• InChI: InChI=1S/C22H26N4O/c1-18-23-12-9-20(24-18)25-14-10-22(11-15-25)16-21(27)26(17-22)13-5-8-19-6-3-2-4-7-19/h2-9,12H,10-11,13-17H2,1H3/b8-5+
• InChIKey: ZGQWYWXCNIPPAT-VMPITWQZSA-N
• XLogP: 3.32
• TPSA: 49.33 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72843442) is 8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one.

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

The canonical SMILES for 8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1nccc(N2CCC3(CC2)CC(=O)N(C/C=C/c2ccccc2)C3)n1.

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

The InChIKey is ZGQWYWXCNIPPAT-VMPITWQZSA-N. The full InChI is InChI=1S/C22H26N4O/c1-18-23-12-9-20(24-18)25-14-10-22(11-15-25)16-21(27)26(17-22)13-5-8-19-6-3-2-4-7-19/h2-9,12H,10-11,13-17H2,1H3/b8-5+.

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

8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 362.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72843442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).