3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide

C16H22N2O2 — CID 139383396

IUPAC3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CNC2
InChIInChI=1S/C16H22N2O2/c1-20-16(12-5-2-4-11(8-12)15(17)19)13-6-3-7-14(16)10-18-9-13/h2,4-5,8,13-14,18H,3,6-7,9-10H2,1H3,(H2,17,19)
InChIKeyIZBUEYQBUXFDCK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.65
Rot. Bonds3

About 3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide

3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide (PubChem CID 139383396) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide.

Molecular Properties

Compound Name3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
PubChem CID139383396
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide
SMILESCOC1(c2cccc(C(N)=O)c2)C2CCCC1CNC2
InChIInChI=1S/C16H22N2O2/c1-20-16(12-5-2-4-11(8-12)15(17)19)13-6-3-7-14(16)10-18-9-13/h2,4-5,8,13-14,18H,3,6-7,9-10H2,1H3,(H2,17,19)
InChIKeyIZBUEYQBUXFDCK-UHFFFAOYSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R,5S)-3-(cyclobutylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide;hydrochloride
CID 139367874
3-[(1S,5R)-3-(3-bicyclo[3.1.0]hexanyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 139367877
3-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 139383276
4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide
CID 139383453
3-[(1S,5R)-9-methoxy-3-(3,3,3-trifluoropropyl)-3-azabicyclo[3.3.1]nonan-9-yl]benzamide;hydrochloride
CID 139367864
bicyclo[3.1.1]hepta-1(6),2,4-triene;4-[(1R,5S)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 175071094
3-[3-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 139387563
3-[(1S,5R)-9-methoxy-3-(2-methylsulfonylethyl)-3-azabicyclo[3.3.1]nonan-9-yl]benzamide;hydrochloride
CID 139368226
3-[9-methoxy-3-(2H-triazol-4-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 139383609
3-[(1S,5R)-9-methoxy-3-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 139367992
3-[(1S,5R)-9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 139367957
3-[(1S,5R)-9-methoxy-3-[(3R)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 139367954

Frequently Asked Questions

What is the IUPAC name of 3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The IUPAC name of 3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide (CID 139383396) is 3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide.
What is the SMILES notation for 3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The canonical SMILES for 3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide is COC1(c2cccc(C(N)=O)c2)C2CCCC1CNC2.
What is the InChIKey of 3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
The InChIKey is IZBUEYQBUXFDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-16(12-5-2-4-11(8-12)15(17)19)13-6-3-7-14(16)10-18-9-13/h2,4-5,8,13-14,18H,3,6-7,9-10H2,1H3,(H2,17,19).
What are the key properties of 3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide?
3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide has a molecular weight of 274.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)benzamide is sourced from PubChem (CID 139383396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).