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

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Related Compounds

6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263091
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83225076
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074
3-butan-2-yl-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239233
3-(2-methylpentan-3-yl)-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245812
6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83225055
6-(1-cyclopropylbutan-2-yl)-5-thiophen-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264663
6-butan-2-yl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239589
3-cyclopropyl-2-(4-ethylphenyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244642
3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839
2-(3-methylphenyl)-3-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 79491776

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).