3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one

C18H26N2O — CID 83246182

IUPAC3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(CC)N1C(=O)C2(CCCC2)NC1c1ccccc1
InChIInChI=1S/C18H26N2O/c1-3-15(4-2)20-16(14-10-6-5-7-11-14)19-18(17(20)21)12-8-9-13-18/h5-7,10-11,15-16,19H,3-4,8-9,12-13H2,1-2H3
InChIKeyJYIWWDDXHASAPL-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.62
Rot. Bonds4

About 3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one

3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83246182) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83246182
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(CC)N1C(=O)C2(CCCC2)NC1c1ccccc1
InChIInChI=1S/C18H26N2O/c1-3-15(4-2)20-16(14-10-6-5-7-11-14)19-18(17(20)21)12-8-9-13-18/h5-7,10-11,15-16,19H,3-4,8-9,12-13H2,1-2H3
InChIKeyJYIWWDDXHASAPL-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one 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-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83246182) is 3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one is CCC(CC)N1C(=O)C2(CCCC2)NC1c1ccccc1.
What is the InChIKey of 3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is JYIWWDDXHASAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-15(4-2)20-16(14-10-6-5-7-11-14)19-18(17(20)21)12-8-9-13-18/h5-7,10-11,15-16,19H,3-4,8-9,12-13H2,1-2H3.
What are the key properties of 3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one?
3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 286.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-2-phenyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83246182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).