5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one

C18H30N2O — CID 83245424

IUPAC5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1CCCC(N2C(=O)C3(CC3)NC2C2CCCC2)C1C
InChIInChI=1S/C18H30N2O/c1-12-6-5-9-15(13(12)2)20-16(14-7-3-4-8-14)19-18(10-11-18)17(20)21/h12-16,19H,3-11H2,1-2H3
InChIKeyXBSALNCKLSCKIB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.29
Rot. Bonds2

About 5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one

5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83245424) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83245424
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC1CCCC(N2C(=O)C3(CC3)NC2C2CCCC2)C1C
InChIInChI=1S/C18H30N2O/c1-12-6-5-9-15(13(12)2)20-16(14-7-3-4-8-14)19-18(10-11-18)17(20)21/h12-16,19H,3-11H2,1-2H3
InChIKeyXBSALNCKLSCKIB-UHFFFAOYSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-3-(2-methylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83264147
3-(2,3-dimethylcyclopentyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83258344
5-cyclopentyl-6-(4-ethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248334
2-methyl-3-(2-methylcyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83238017
5-ethyl-6-(2-methylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237288
5-ethyl-6-(2-methylcycloheptyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258447
6-cycloheptyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83243483
6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258767
2-cyclopentyl-3-(oxolan-3-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83267225
2-ethyl-3-(2-methylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257976
2-ethyl-3-(2-methylcycloheptyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83258443
5-cyclopentyl-6-(3,3-dimethylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 104830783

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83245424) is 5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one is CC1CCCC(N2C(=O)C3(CC3)NC2C2CCCC2)C1C.
What is the InChIKey of 5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is XBSALNCKLSCKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-12-6-5-9-15(13(12)2)20-16(14-7-3-4-8-14)19-18(10-11-18)17(20)21/h12-16,19H,3-11H2,1-2H3.
What are the key properties of 5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 290.45 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-6-(2,3-dimethylcyclohexyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83245424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).