3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one

C16H29N3O — CID 105421130

IUPAC3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1CC1(N(C)C)CCC1
InChIInChI=1S/C16H29N3O/c1-4-13-17-16(10-5-6-11-16)14(20)19(13)12-15(18(2)3)8-7-9-15/h13,17H,4-12H2,1-3H3
InChIKeyLBXACISSHBSWRM-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.95
Rot. Bonds4

About 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one

3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 105421130) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID105421130
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC1NC2(CCCC2)C(=O)N1CC1(N(C)C)CCC1
InChIInChI=1S/C16H29N3O/c1-4-13-17-16(10-5-6-11-16)14(20)19(13)12-15(18(2)3)8-7-9-15/h13,17H,4-12H2,1-3H3
InChIKeyLBXACISSHBSWRM-UHFFFAOYSA-N
XLogP1.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83251449
5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83255547
3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83263939
3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839
2-ethyl-3-(2-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253291
2-ethyl-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107299046
2-ethyl-3-(oxolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83255122
3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83246938
2-ethyl-3-(3-methylpentan-2-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83247368
3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 114109762
5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83249122
2-ethyl-3-(2-methylcyclopentyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257976

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one (CID 105421130) is 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one is CCC1NC2(CCCC2)C(=O)N1CC1(N(C)C)CCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is LBXACISSHBSWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-13-17-16(10-5-6-11-16)14(20)19(13)12-15(18(2)3)8-7-9-15/h13,17H,4-12H2,1-3H3.
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one?
3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 279.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 105421130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).