6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one

C15H21N3O — CID 170035629

IUPAC6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CNCCN2Cc2ccccc2)C1=O
InChIInChI=1S/C15H21N3O/c1-17-9-7-15(14(17)19)12-16-8-10-18(15)11-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3
InChIKeyNPJJHMGOTUVSNY-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.69
Rot. Bonds2

About 6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one

6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one (PubChem CID 170035629) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one
PubChem CID170035629
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CNCCN2Cc2ccccc2)C1=O
InChIInChI=1S/C15H21N3O/c1-17-9-7-15(14(17)19)12-16-8-10-18(15)11-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3
InChIKeyNPJJHMGOTUVSNY-UHFFFAOYSA-N
XLogP0.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-6,9-diazaspiro[4.5]decan-4-one
CID 158678480
1-benzyl-2-methyl-2-phenylpiperazine
CID 64844450
1,2-dibenzylpiperazine-2-carboxylic acid
CID 174963480
(4R)-1-benzyl-1,7-diazaspiro[3.4]octane
CID 97114338
1-benzyl-1,7-diazaspiro[3.4]octane
CID 71302050
2,2-dimethyl-1-[(4-phenylphenyl)methyl]piperazine
CID 65462302
(6R)-1-benzyl-1-azaspiro[5.5]undecan-11-one
CID 14866444
7-benzyl-2,7-diazaspiro[5.6]dodecane
CID 82623667
1-benzyl-9-[(3-fluorophenyl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97495875
1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine
CID 64847016
1-benzyl-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonan-6-one
CID 73013443
1-benzyl-1-azaspiro[4.4]nonan-9-one
CID 138106111

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one?
The IUPAC name of 6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one (CID 170035629) is 6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one.
What is the SMILES notation for 6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one?
The canonical SMILES for 6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one is CN1CCC2(CNCCN2Cc2ccccc2)C1=O.
What is the InChIKey of 6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one?
The InChIKey is NPJJHMGOTUVSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-9-7-15(14(17)19)12-16-8-10-18(15)11-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3.
What are the key properties of 6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one?
6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one has a molecular weight of 259.35 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methyl-2,6,9-triazaspiro[4.5]decan-1-one is sourced from PubChem (CID 170035629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).