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

C17H31N3O — CID 83253627

IUPAC3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1CC1CCN(C)CC1
InChIInChI=1S/C17H31N3O/c1-3-6-15-18-17(9-4-5-10-17)16(21)20(15)13-14-7-11-19(2)12-8-14/h14-15,18H,3-13H2,1-2H3
InChIKeyUYSAUCCJCYSHPY-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.20
Rot. Bonds4

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

3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83253627) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83253627
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCCC1NC2(CCCC2)C(=O)N1CC1CCN(C)CC1
InChIInChI=1S/C17H31N3O/c1-3-6-15-18-17(9-4-5-10-17)16(21)20(15)13-14-7-11-19(2)12-8-14/h14-15,18H,3-13H2,1-2H3
InChIKeyUYSAUCCJCYSHPY-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163
5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83249122
3-(1-methylpyrrolidin-3-yl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83249922
3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83256534
3-(2-cyclopentyloxyethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83264491
5-propyl-6-(thiolan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270353
3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83246938
3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83263939
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
6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83255546
6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114517119

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one (CID 83253627) is 3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is CCCC1NC2(CCCC2)C(=O)N1CC1CCN(C)CC1.
What is the InChIKey of 3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is UYSAUCCJCYSHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-3-6-15-18-17(9-4-5-10-17)16(21)20(15)13-14-7-11-19(2)12-8-14/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one?
3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 293.45 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83253627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).