1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one

C17H26N2O — CID 79884762

IUPAC1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1CCNC2(CCCCC2)C1
InChIInChI=1S/C17H26N2O/c1-13-10-16(20)11-14(2)19(13)15-6-9-18-17(12-15)7-4-3-5-8-17/h10-11,15,18H,3-9,12H2,1-2H3
InChIKeySBILCHPVKIKWBF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.09
Rot. Bonds1

About 1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one

1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one (PubChem CID 79884762) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one.

Molecular Properties

Compound Name1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one
PubChem CID79884762
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one
SMILESCc1cc(=O)cc(C)n1C1CCNC2(CCCCC2)C1
InChIInChI=1S/C17H26N2O/c1-13-10-16(20)11-14(2)19(13)15-6-9-18-17(12-15)7-4-3-5-8-17/h10-11,15,18H,3-9,12H2,1-2H3
InChIKeySBILCHPVKIKWBF-UHFFFAOYSA-N
XLogP3.09
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-azaspiro[5.5]undecan-4-yl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one
CID 79876311
4-(1-azaspiro[5.5]undecan-4-yl)morpholine
CID 79677734
3-(1-azaspiro[5.5]undecan-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102690166
4-pyrrolidin-1-yl-1-azaspiro[5.5]undecane
CID 79680272
4-(4-methylpiperidin-1-yl)-1-azaspiro[5.5]undecane
CID 79678092
2-(5-azaspiro[3.5]nonan-8-yl)-2-azaspiro[3.5]nonane
CID 79677731
1-(azetidin-3-yl)-2,6-dimethylpyridin-4-one
CID 79885681
4-(5-azaspiro[3.5]nonan-8-yl)morpholine
CID 79677979
2-(5-azaspiro[3.5]nonan-8-yl)-2-azaspiro[4.4]nonane-1,3-dione
CID 61350736
N,N-dimethyl-1-azaspiro[5.5]undecan-4-amine
CID 79678093
10-methyl-11-[(3-methylphenyl)methyl]-7,11-diazaspiro[5.6]dodecane
CID 64870965
N-(1-azaspiro[5.5]undecan-4-yl)-4-methylbenzamide
CID 43595670

Frequently Asked Questions

What is the IUPAC name of 1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one?
The IUPAC name of 1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one (CID 79884762) is 1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one.
What is the SMILES notation for 1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one?
The canonical SMILES for 1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one is Cc1cc(=O)cc(C)n1C1CCNC2(CCCCC2)C1.
What is the InChIKey of 1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one?
The InChIKey is SBILCHPVKIKWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-10-16(20)11-14(2)19(13)15-6-9-18-17(12-15)7-4-3-5-8-17/h10-11,15,18H,3-9,12H2,1-2H3.
What are the key properties of 1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one?
1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one has a molecular weight of 274.41 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azaspiro[5.5]undecan-4-yl)-2,6-dimethylpyridin-4-one is sourced from PubChem (CID 79884762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).