8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

C23H30N4O — CID 91940369

About 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 91940369) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 91940369
• Molecular Formula: C23H30N4O
• Molecular Weight: 378.52 g/mol
• Exact Mass: 378.24
• IUPAC Name: 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
• SMILES: Cc1c(CN2CCC3(CC2)CC(=O)N(CC=Cc2ccccc2)C3)cnn1C
• InChI: InChI=1S/C23H30N4O/c1-19-21(16-24-25(19)2)17-26-13-10-23(11-14-26)15-22(28)27(18-23)12-6-9-20-7-4-3-5-8-20/h3-9,16H,10-15,17-18H2,1-2H3
• InChIKey: IFFJMDYROQNZNX-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.52
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (CID 91940369) is 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is Cc1c(CN2CCC3(CC2)CC(=O)N(CC=Cc2ccccc2)C3)cnn1C.

What is the InChIKey of 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is IFFJMDYROQNZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-19-21(16-24-25(19)2)17-26-13-10-23(11-14-26)15-22(28)27(18-23)12-6-9-20-7-4-3-5-8-20/h3-9,16H,10-15,17-18H2,1-2H3.

What are the key properties of 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?

8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 378.52 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91940369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).