6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione

C21H26N2O3 — CID 127049852

IUPAC6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione
SMILESO=C1CN(C(=O)c2ccccc2)C2(CCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C21H26N2O3/c24-18-15-22(19(25)16-9-3-1-4-10-16)21(13-7-8-14-21)20(26)23(18)17-11-5-2-6-12-17/h1,3-4,9-10,17H,2,5-8,11-15H2
InChIKeyYOVRBAYQBRCCLG-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.14
Rot. Bonds2

About 6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione

6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione (PubChem CID 127049852) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione.

Molecular Properties

Compound Name6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione
PubChem CID127049852
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione
SMILESO=C1CN(C(=O)c2ccccc2)C2(CCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C21H26N2O3/c24-18-15-22(19(25)16-9-3-1-4-10-16)21(13-7-8-14-21)20(26)23(18)17-11-5-2-6-12-17/h1,3-4,9-10,17H,2,5-8,11-15H2
InChIKeyYOVRBAYQBRCCLG-UHFFFAOYSA-N
XLogP3.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclohexyl-1-(4-methylbenzoyl)-1,4-diazaspiro[5.5]undecane-3,5-dione
CID 127052274
1-cyclohexyl-3-phenacylimidazolidine-2,4,5-trione
CID 34603406
9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635147
[(3aS,7aS)-3-benzoyl-2-methyl-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-1-yl]-phenylmethanone
CID 102506692
1-cyclohexyl-3-hydroxy-3-phenyl-1-azaspiro[3.5]nonan-2-one
CID 10470842
2-benzoyl-2-methylcyclohexane-1-carboxylic acid
CID 13054540
1-(4-chlorobenzoyl)-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162637440
(2Z)-2-(3-cyclohexyl-2,5-dioxo-1-phenylimidazolidin-4-ylidene)-2-phenylacetamide
CID 70610780
(8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537010
3-cyclohexyl-3-azaspiro[5.5]undecane-2,4-dione
CID 125489474
2-cyclodecylisoindole-1,3-dione
CID 123786237
[(1S,5R)-7-benzoyl-6,7-diazabicyclo[3.2.2]non-8-en-6-yl]-phenylmethanone
CID 10314708

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione?
The IUPAC name of 6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione (CID 127049852) is 6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione.
What is the SMILES notation for 6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione?
The canonical SMILES for 6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione is O=C1CN(C(=O)c2ccccc2)C2(CCCC2)C(=O)N1C1CCCCC1.
What is the InChIKey of 6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione?
The InChIKey is YOVRBAYQBRCCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-18-15-22(19(25)16-9-3-1-4-10-16)21(13-7-8-14-21)20(26)23(18)17-11-5-2-6-12-17/h1,3-4,9-10,17H,2,5-8,11-15H2.
What are the key properties of 6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione?
6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione has a molecular weight of 354.45 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-9-cyclohexyl-6,9-diazaspiro[4.5]decane-8,10-dione is sourced from PubChem (CID 127049852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).