2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C21H24N2O3 — CID 119103733

IUPAC2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C21H24N2O3/c1-25-20-7-3-2-5-15(20)11-21(24)23-16-8-9-17(23)13-19(12-16)26-18-6-4-10-22-14-18/h2-7,10,14,16-17,19H,8-9,11-13H2,1H3
InChIKeyVLQRCMSQJLYKTH-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.23
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 119103733) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID119103733
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCOc1ccccc1CC(=O)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C21H24N2O3/c1-25-20-7-3-2-5-15(20)11-21(24)23-16-8-9-17(23)13-19(12-16)26-18-6-4-10-22-14-18/h2-7,10,14,16-17,19H,8-9,11-13H2,1H3
InChIKeyVLQRCMSQJLYKTH-UHFFFAOYSA-N
XLogP3.23
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone with MolForge

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Related Compounds

2-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185936
2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185901
3-(4-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121185911
2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185912
2-(3-methylphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185876
phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 129357029
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186209
1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 121186102
1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone
CID 121186032
(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185870
pyridin-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185862
1-(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methoxyphenyl)ethanone
CID 138989022

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 119103733) is 2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is COc1ccccc1CC(=O)N1C2CCC1CC(Oc1cccnc1)C2.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is VLQRCMSQJLYKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-20-7-3-2-5-15(20)11-21(24)23-16-8-9-17(23)13-19(12-16)26-18-6-4-10-22-14-18/h2-7,10,14,16-17,19H,8-9,11-13H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 352.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 119103733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).