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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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).