9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one

C13H22N2O — CID 83024321

IUPAC9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2N1CCCCC1
InChIInChI=1S/C13H22N2O/c16-13-9-11-5-4-6-12(10-13)15(11)14-7-2-1-3-8-14/h11-12H,1-10H2
InChIKeyRTGGNKFTLLUJKH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.97
Rot. Bonds1

About 9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one

9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 83024321) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID83024321
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2N1CCCCC1
InChIInChI=1S/C13H22N2O/c16-13-9-11-5-4-6-12(10-13)15(11)14-7-2-1-3-8-14/h11-12H,1-10H2
InChIKeyRTGGNKFTLLUJKH-UHFFFAOYSA-N
XLogP1.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one
CID 144657404
9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-one
CID 62713753
ethane;9-hydroxy-9-azabicyclo[3.3.1]nonan-3-one
CID 159223821
3-pyrrolidin-1-ylcyclopentan-1-one
CID 79643269
9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713752
9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 115408731
1-cyclodecylpyrrolidin-3-one
CID 138676614
9-(2-cyclopentylethyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712336
9-(3-methylcyclopentyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 114541275
9-(3,3-dimethylbutan-2-yl)-9-azabicyclo[3.3.1]nonan-3-one
CID 104830042
9-(oxolan-3-yl)-9-azabicyclo[3.3.1]nonan-3-one
CID 80715836
9-(1-cyclohexylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62714481

Frequently Asked Questions

What is the IUPAC name of 9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one (CID 83024321) is 9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2N1CCCCC1.
What is the InChIKey of 9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is RTGGNKFTLLUJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c16-13-9-11-5-4-6-12(10-13)15(11)14-7-2-1-3-8-14/h11-12H,1-10H2.
What are the key properties of 9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one?
9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 222.33 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-piperidin-1-yl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 83024321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).