3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one

C15H26N2O — CID 83254362

IUPAC3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1CCC(CN2CNC3(CCCC3)C2=O)CC1
InChIInChI=1S/C15H26N2O/c1-12-4-6-13(7-5-12)10-17-11-16-15(14(17)18)8-2-3-9-15/h12-13,16H,2-11H2,1H3
InChIKeyVHHIICDIWDQRHV-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.51
Rot. Bonds2

About 3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one

3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83254362) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83254362
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1CCC(CN2CNC3(CCCC3)C2=O)CC1
InChIInChI=1S/C15H26N2O/c1-12-4-6-13(7-5-12)10-17-11-16-15(14(17)18)8-2-3-9-15/h12-13,16H,2-11H2,1H3
InChIKeyVHHIICDIWDQRHV-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methylcyclohexyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64970304
6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 130908995
3-(thian-2-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83270360
6-(oxan-3-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83249029
3-decyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83270884
3-[2-[cyclopentyl(methyl)amino]ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 83257748
ethane;1-[(4-methylcyclohexyl)methyl]pyrrolidin-2-one
CID 162255523
6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83257758
3-[3-(dimethylamino)-2,2-dimethylpropyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 83238067
9-(cyclobutylmethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960256
3-(cyclohexylmethyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7170081
1-[(4-methylcyclohexyl)methyl]imidazolidin-2-one
CID 115370654

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one (CID 83254362) is 3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one is CC1CCC(CN2CNC3(CCCC3)C2=O)CC1.
What is the InChIKey of 3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is VHHIICDIWDQRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-4-6-13(7-5-12)10-17-11-16-15(14(17)18)8-2-3-9-15/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one?
3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 250.39 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylcyclohexyl)methyl]-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83254362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).