1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione

C22H28N2O3 — CID 127050149

IUPAC1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione
SMILESO=C1CN(C(=O)c2ccccc2)C2(CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C22H28N2O3/c25-19-16-23(20(26)17-10-4-1-5-11-17)22(14-8-3-9-15-22)21(27)24(19)18-12-6-2-7-13-18/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKeyVLTOBCXOBHNDDX-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.53
Rot. Bonds2

About 1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione

1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione (PubChem CID 127050149) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione.

Molecular Properties

Compound Name1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione
PubChem CID127050149
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione
SMILESO=C1CN(C(=O)c2ccccc2)C2(CCCCC2)C(=O)N1C1CCCCC1
InChIInChI=1S/C22H28N2O3/c25-19-16-23(20(26)17-10-4-1-5-11-17)22(14-8-3-9-15-22)21(27)24(19)18-12-6-2-7-13-18/h1,4-5,10-11,18H,2-3,6-9,12-16H2
InChIKeyVLTOBCXOBHNDDX-UHFFFAOYSA-N
XLogP3.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.53
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 1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione?
The IUPAC name of 1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione (CID 127050149) is 1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione.
What is the SMILES notation for 1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione?
The canonical SMILES for 1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione is O=C1CN(C(=O)c2ccccc2)C2(CCCCC2)C(=O)N1C1CCCCC1.
What is the InChIKey of 1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione?
The InChIKey is VLTOBCXOBHNDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-19-16-23(20(26)17-10-4-1-5-11-17)22(14-8-3-9-15-22)21(27)24(19)18-12-6-2-7-13-18/h1,4-5,10-11,18H,2-3,6-9,12-16H2.
What are the key properties of 1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione?
1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione has a molecular weight of 368.48 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-cyclohexyl-1,4-diazaspiro[5.5]undecane-3,5-dione is sourced from PubChem (CID 127050149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).