3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one

C16H30N2O2 — CID 83263004

IUPAC3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC(COC)N1C(=O)C2(CCCC2)NC1CCC
InChIInChI=1S/C16H30N2O2/c1-4-8-13(12-20-3)18-14(9-5-2)17-16(15(18)19)10-6-7-11-16/h13-14,17H,4-12H2,1-3H3
InChIKeyKEYSRVVLHUTPLU-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.67
Rot. Bonds7

About 3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one

3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83263004) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83263004
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC(COC)N1C(=O)C2(CCCC2)NC1CCC
InChIInChI=1S/C16H30N2O2/c1-4-8-13(12-20-3)18-14(9-5-2)17-16(15(18)19)10-6-7-11-16/h13-14,17H,4-12H2,1-3H3
InChIKeyKEYSRVVLHUTPLU-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methoxypentan-2-yl)-2-propylimidazolidin-4-one
CID 83263990
3-(3-methylbutan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83251608
3-(3-ethylpentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83258173
6-(1-methoxypentan-2-yl)-5-(5-methylthiophen-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263992
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 106053072
3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83256534
2-(4-fluorophenyl)-3-(1-methoxypentan-2-yl)imidazolidin-4-one
CID 83263819
3-(2-cyclopentyloxyethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83264491
5-ethyl-6-(1-methoxy-3-methylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258737
2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83247368
3-(1-methoxypentan-2-yl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83262701
3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83249922

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83263004) is 3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is CCCC(COC)N1C(=O)C2(CCCC2)NC1CCC.
What is the InChIKey of 3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is KEYSRVVLHUTPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-8-13(12-20-3)18-14(9-5-2)17-16(15(18)19)10-6-7-11-16/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 282.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypentan-2-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83263004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).