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

C17H31N3O — CID 83248460

IUPAC3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)C1NC2(CCCC2)C(=O)N1CC1CCCCN1C
InChIInChI=1S/C17H31N3O/c1-13(2)15-18-17(9-5-6-10-17)16(21)20(15)12-14-8-4-7-11-19(14)3/h13-15,18H,4-12H2,1-3H3
InChIKeyGSYKKJXAFNZSPO-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.20
Rot. Bonds3

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

3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83248460) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83248460
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC(C)C1NC2(CCCC2)C(=O)N1CC1CCCCN1C
InChIInChI=1S/C17H31N3O/c1-13(2)15-18-17(9-5-6-10-17)16(21)20(15)12-14-8-4-7-11-19(14)3/h13-15,18H,4-12H2,1-3H3
InChIKeyGSYKKJXAFNZSPO-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 106021778
6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83265028
5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 114137896
3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83255752
3-[2-[ethyl(methyl)amino]ethyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83254466
3-[(1-methylcyclopentyl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83257924
6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256857
3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83263939
6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256700
3-(4-methylpentan-2-yl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83244515
6-cycloheptyl-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244558
methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate
CID 83256480

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one (CID 83248460) is 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one is CC(C)C1NC2(CCCC2)C(=O)N1CC1CCCCN1C.
What is the InChIKey of 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is GSYKKJXAFNZSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13(2)15-18-17(9-5-6-10-17)16(21)20(15)12-14-8-4-7-11-19(14)3/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one?
3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 293.45 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83248460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).