2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C22H26N2O3 — CID 121185912

IUPAC2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2C3CCC2CC(Oc2cccnc2)C3)cc1
InChIInChI=1S/C22H26N2O3/c1-2-26-19-9-5-16(6-10-19)12-22(25)24-17-7-8-18(24)14-21(13-17)27-20-4-3-11-23-15-20/h3-6,9-11,15,17-18,21H,2,7-8,12-14H2,1H3
InChIKeyFBRMFXHIPXEIEC-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.62
Rot. Bonds6

About 2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 121185912) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID121185912
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2C3CCC2CC(Oc2cccnc2)C3)cc1
InChIInChI=1S/C22H26N2O3/c1-2-26-19-9-5-16(6-10-19)12-22(25)24-17-7-8-18(24)14-21(13-17)27-20-4-3-11-23-15-20/h3-6,9-11,15,17-18,21H,2,7-8,12-14H2,1H3
InChIKeyFBRMFXHIPXEIEC-UHFFFAOYSA-N
XLogP3.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone with MolForge

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Related Compounds

2-(4-chlorophenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185901
2-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185936
2-(3-methylphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185876
3-(4-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121185911
2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 119103733
1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 121186102
2-(4-ethoxyphenyl)-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90615882
(4-methylpiperazin-1-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186145
(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 119103729
phenyl (1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 129357029
pyridin-2-yl-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185862
2-phenoxy-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121186339

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 121185912) is 2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is CCOc1ccc(CC(=O)N2C3CCC2CC(Oc2cccnc2)C3)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is FBRMFXHIPXEIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-26-19-9-5-16(6-10-19)12-22(25)24-17-7-8-18(24)14-21(13-17)27-20-4-3-11-23-15-20/h3-6,9-11,15,17-18,21H,2,7-8,12-14H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 366.46 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 121185912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).