2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile

C17H22N2O — CID 110197971

IUPAC2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile
SMILESCOC1CCC12CCN(Cc1ccccc1C#N)CC2
InChIInChI=1S/C17H22N2O/c1-20-16-6-7-17(16)8-10-19(11-9-17)13-15-5-3-2-4-14(15)12-18/h2-5,16H,6-11,13H2,1H3
InChIKeyFIPYOFHMYROHMC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.95
Rot. Bonds3

About 2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile

2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile (PubChem CID 110197971) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile
PubChem CID110197971
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile
SMILESCOC1CCC12CCN(Cc1ccccc1C#N)CC2
InChIInChI=1S/C17H22N2O/c1-20-16-6-7-17(16)8-10-19(11-9-17)13-15-5-3-2-4-14(15)12-18/h2-5,16H,6-11,13H2,1H3
InChIKeyFIPYOFHMYROHMC-UHFFFAOYSA-N
XLogP2.95
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{[4-(1-Hydroxyethyl)piperidin-1-yl]methyl}benzonitrile
CID 53193302
7-[(3,4-Difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
CID 110197972
3-Methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonane
CID 124075330
4-[(3-Methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile
CID 110197970
3-[(3-Methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile
CID 110197973
2-{[(1R*,3S*)-1,3-dihydroxy-7-azaspiro[3.5]non-7-yl]methyl}benzonitrile
CID 70712113
3-{[(1R*,3S*)-1,3-dihydroxy-7-azaspiro[3.5]non-7-yl]methyl}benzonitrile
CID 72896159
4-({1-Hydroxy-7-azaspiro[3.5]nonan-7-YL}methyl)benzonitrile
CID 124045571
2-[[(5R)-5-hydroxy-3,3-dimethylazepan-1-yl]methyl]benzonitrile
CID 129487949
5-Fluoro-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 72015551
5-fluoro-2-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 96538852
5-fluoro-2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 96538853

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile?
The IUPAC name of 2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile (CID 110197971) is 2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile is COC1CCC12CCN(Cc1ccccc1C#N)CC2.
What is the InChIKey of 2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile?
The InChIKey is FIPYOFHMYROHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-20-16-6-7-17(16)8-10-19(11-9-17)13-15-5-3-2-4-14(15)12-18/h2-5,16H,6-11,13H2,1H3.
What are the key properties of 2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile?
2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methyl]benzonitrile is sourced from PubChem (CID 110197971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).