6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one

C16H28N2O — CID 83256857

IUPAC6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)C1NC2(CC2)C(=O)N1CCC1CCCCC1
InChIInChI=1S/C16H28N2O/c1-12(2)14-17-16(9-10-16)15(19)18(14)11-8-13-6-4-3-5-7-13/h12-14,17H,3-11H2,1-2H3
InChIKeyJRJUDWFAYVMJBY-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.90
Rot. Bonds4

About 6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one

6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83256857) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83256857
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)C1NC2(CC2)C(=O)N1CCC1CCCCC1
InChIInChI=1S/C16H28N2O/c1-12(2)14-17-16(9-10-16)15(19)18(14)11-8-13-6-4-3-5-7-13/h12-14,17H,3-11H2,1-2H3
InChIKeyJRJUDWFAYVMJBY-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83256361
6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256700
3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83255752
6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244558
methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate
CID 83256480
3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83248460
3-[2-[ethyl(methyl)amino]ethyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83254466
3-[(1-methylcyclopentyl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83257924
6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114517119
6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83265028
6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268444
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83256857) is 6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is CC(C)C1NC2(CC2)C(=O)N1CCC1CCCCC1.
What is the InChIKey of 6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is JRJUDWFAYVMJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)14-17-16(9-10-16)15(19)18(14)11-8-13-6-4-3-5-7-13/h12-14,17H,3-11H2,1-2H3.
What are the key properties of 6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 264.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83256857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).