1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one

C14H24N2O — CID 79396612

IUPAC1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(C2CN3CCC2CC3)C1C
InChIInChI=1S/C14H24N2O/c1-10-11(2)16(8-5-14(10)17)13-9-15-6-3-12(13)4-7-15/h10-13H,3-9H2,1-2H3
InChIKeyISOAOGUHXXQJHE-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.38
Rot. Bonds1

About 1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one

1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one (PubChem CID 79396612) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one
PubChem CID79396612
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one
SMILESCC1C(=O)CCN(C2CN3CCC2CC3)C1C
InChIInChI=1S/C14H24N2O/c1-10-11(2)16(8-5-14(10)17)13-9-15-6-3-12(13)4-7-15/h10-13H,3-9H2,1-2H3
InChIKeyISOAOGUHXXQJHE-UHFFFAOYSA-N
XLogP1.38
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one (CID 79396612) is 1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one is CC1C(=O)CCN(C2CN3CCC2CC3)C1C.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one?
The InChIKey is ISOAOGUHXXQJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-11(2)16(8-5-14(10)17)13-9-15-6-3-12(13)4-7-15/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one?
1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one has a molecular weight of 236.36 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 79396612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).