2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone

C14H18N2O — CID 117050380

IUPAC2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1CC2CCC1CCN2
InChIInChI=1S/C14H18N2O/c17-14(11-4-2-1-3-5-11)16-10-12-6-7-13(16)8-9-15-12/h1-5,12-13,15H,6-10H2
InChIKeyKHDIKSAVEFEUOG-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.65
Rot. Bonds1

About 2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone

2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone (PubChem CID 117050380) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone.

Molecular Properties

Compound Name2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone
PubChem CID117050380
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone
SMILESO=C(c1ccccc1)N1CC2CCC1CCN2
InChIInChI=1S/C14H18N2O/c17-14(11-4-2-1-3-5-11)16-10-12-6-7-13(16)8-9-15-12/h1-5,12-13,15H,6-10H2
InChIKeyKHDIKSAVEFEUOG-UHFFFAOYSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone
CID 117050381
benzyl (1R,5R)-2,6-diazabicyclo[3.2.1]octane-6-carboxylate
CID 129379581
[(1S,4S)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-phenylmethanone
CID 67585792
azetidin-2-yl(phenyl)methanone
CID 84651225
[(2S,4S,5R)-4-hydroxy-2,5-dimethylpiperidin-1-yl]-phenylmethanone
CID 7329928
[(3aR,6aS)-6,6-dimethoxy-1,2,3,3a,5,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-phenylmethanone
CID 58639790
[(3aR)-6,6-dimethoxy-1,2,3,3a,5,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-phenylmethanone
CID 68958769
N-(2-phenylpyrimidin-5-yl)-2,5-diazabicyclo[2.2.2]octane-2-carboxamide
CID 128871439
phenyl-[(2R)-2-piperidin-4-ylazepan-1-yl]methanone
CID 95241507
phenyl-[(1S,5R)-3-(3-phenylpropyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 72887420
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 122163617
(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 124508175

Frequently Asked Questions

What is the IUPAC name of 2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone?
The IUPAC name of 2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone (CID 117050380) is 2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone.
What is the SMILES notation for 2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone?
The canonical SMILES for 2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone is O=C(c1ccccc1)N1CC2CCC1CCN2.
What is the InChIKey of 2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone?
The InChIKey is KHDIKSAVEFEUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(11-4-2-1-3-5-11)16-10-12-6-7-13(16)8-9-15-12/h1-5,12-13,15H,6-10H2.
What are the key properties of 2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone?
2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone has a molecular weight of 230.31 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazabicyclo[3.2.2]nonan-6-yl(phenyl)methanone is sourced from PubChem (CID 117050380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).