3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione

C14H16N2O2 — CID 935597

IUPAC3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H16N2O2/c17-12-14(9-5-2-6-10-14)15-13(18)16(12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,18)
InChIKeyIWJCNJMQZPEXHF-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.45
Rot. Bonds1

About 3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 935597) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID935597
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1c1ccccc1
InChIInChI=1S/C14H16N2O2/c17-12-14(9-5-2-6-10-14)15-13(18)16(12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,18)
InChIKeyIWJCNJMQZPEXHF-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 935597) is 3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is IWJCNJMQZPEXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-12-14(9-5-2-6-10-14)15-13(18)16(12)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,15,18).
What are the key properties of 3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 244.29 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 935597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).