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'}

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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).