8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one

C21H29N3O — CID 10735857

IUPAC8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one
SMILESO=C1N=CN(CC2CCCCC2)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C21H29N3O/c25-20-21(24(17-22-20)16-19-9-5-2-6-10-19)11-13-23(14-12-21)15-18-7-3-1-4-8-18/h1,3-4,7-8,17,19H,2,5-6,9-16H2
InChIKeyFSGLLISOJLOZNX-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.47
Rot. Bonds4

About 8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one

8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one (PubChem CID 10735857) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one.

Molecular Properties

Compound Name8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one
PubChem CID10735857
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one
SMILESO=C1N=CN(CC2CCCCC2)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C21H29N3O/c25-20-21(24(17-22-20)16-19-9-5-2-6-10-19)11-13-23(14-12-21)15-18-7-3-1-4-8-18/h1,3-4,7-8,17,19H,2,5-6,9-16H2
InChIKeyFSGLLISOJLOZNX-UHFFFAOYSA-N
XLogP3.47
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The IUPAC name of 8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one (CID 10735857) is 8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one.
What is the SMILES notation for 8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The canonical SMILES for 8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one is O=C1N=CN(CC2CCCCC2)C12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
The InChIKey is FSGLLISOJLOZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c25-20-21(24(17-22-20)16-19-9-5-2-6-10-19)11-13-23(14-12-21)15-18-7-3-1-4-8-18/h1,3-4,7-8,17,19H,2,5-6,9-16H2.
What are the key properties of 8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one?
8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one has a molecular weight of 339.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-1-(cyclohexylmethyl)-1,3,8-triazaspiro[4.5]dec-2-en-4-one is sourced from PubChem (CID 10735857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).