3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one

C16H31N3O — CID 83246938

IUPAC3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1CCCCN(C)C
InChIInChI=1S/C16H31N3O/c1-4-9-14-17-16(10-5-6-11-16)15(20)19(14)13-8-7-12-18(2)3/h14,17H,4-13H2,1-3H3
InChIKeyURVAIEVGSVKMIB-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.20
Rot. Bonds7

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

3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83246938) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83246938
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1CCCCN(C)C
InChIInChI=1S/C16H31N3O/c1-4-9-14-17-16(10-5-6-11-16)15(20)19(14)13-8-7-12-18(2)3/h14,17H,4-13H2,1-3H3
InChIKeyURVAIEVGSVKMIB-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 106053072
3-[4-(dimethylamino)butyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83247462
6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83255546
3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83256534
5-propyl-6-(5,5,5-trifluoropentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260127
6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83258164
3-(2-cyclopentyloxyethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83264491
3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83253627
5-propyl-6-(3,3,3-trifluoropropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254359
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163
6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264366
6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242401

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83246938) is 3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is CCCC1NC2(CCCC2)C(=O)N1CCCCN(C)C.
What is the InChIKey of 3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is URVAIEVGSVKMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-9-14-17-16(10-5-6-11-16)15(20)19(14)13-8-7-12-18(2)3/h14,17H,4-13H2,1-3H3.
What are the key properties of 3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 281.44 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83246938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).