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

C15H27N3O — CID 83249922

IUPAC3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1C1CCN(C)C1
InChIInChI=1S/C15H27N3O/c1-3-6-13-16-15(8-4-5-9-15)14(19)18(13)12-7-10-17(2)11-12/h12-13,16H,3-11H2,1-2H3
InChIKeyYMKSACIPSXGUSV-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.56
Rot. Bonds3

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

3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83249922) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83249922
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1C1CCN(C)C1
InChIInChI=1S/C15H27N3O/c1-3-6-13-16-15(8-4-5-9-15)14(19)18(13)12-7-10-17(2)11-12/h12-13,16H,3-11H2,1-2H3
InChIKeyYMKSACIPSXGUSV-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83250222
3-(3,4-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83264624
3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83253627
3-(3,3-dimethylcyclohexyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83268080
2-ethyl-3-(1-propylpiperidin-4-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253349
3-(2,2-dimethylcyclopentyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83271222
3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83260804
6-(2,2-dimethylcyclohexyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270898
6-(2,2-dimethylcyclopentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270591
6-(2-methylcyclopropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83255505
2-ethyl-3-(4-hydroxycyclohexyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83239217
6-(2-methoxycyclopentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83251733

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83249922) is 3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is CCCC1NC2(CCCC2)C(=O)N1C1CCN(C)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is YMKSACIPSXGUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-6-13-16-15(8-4-5-9-15)14(19)18(13)12-7-10-17(2)11-12/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 265.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83249922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).