3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

C21H23FN2O2 — CID 121186440

IUPAC3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C21H23FN2O2/c22-20-4-2-1-3-15(20)5-8-21(25)24-16-6-7-17(24)14-19(13-16)26-18-9-11-23-12-10-18/h1-4,9-12,16-17,19H,5-8,13-14H2
InChIKeyUPQCZSZIBJXYLP-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.75
Rot. Bonds5

About 3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (PubChem CID 121186440) has the molecular formula C21H23FN2O2 and a molecular weight of 354.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
PubChem CID121186440
Molecular FormulaC21H23FN2O2
Molecular Weight354.42 g/mol
Exact Mass354.17
IUPAC Name3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESO=C(CCc1ccccc1F)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C21H23FN2O2/c22-20-4-2-1-3-15(20)5-8-21(25)24-16-6-7-17(24)14-19(13-16)26-18-9-11-23-12-10-18/h1-4,9-12,16-17,19H,5-8,13-14H2
InChIKeyUPQCZSZIBJXYLP-UHFFFAOYSA-N
XLogP3.75
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one with MolForge

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Related Compounds

3-(2-bromophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 119103755
3-phenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186336
3-(2-ethoxyphenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186439
1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(2,3,4-trimethoxyphenyl)propan-1-one
CID 121186445
1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione
CID 121186423
2-phenoxy-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121186339
3,3-diphenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 121186525
1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-2-thiophen-2-ylethanone
CID 121186331
N-[2-oxo-2-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzamide
CID 121186509
benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121186589
3-phenyl-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)butan-1-one
CID 121186650
(2R)-2-(2-fluorophenoxy)-1-[(1S,5S)-3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 129416472

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (CID 121186440) is 3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is O=C(CCc1ccccc1F)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of 3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The InChIKey is UPQCZSZIBJXYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-20-4-2-1-3-15(20)5-8-21(25)24-16-6-7-17(24)14-19(13-16)26-18-9-11-23-12-10-18/h1-4,9-12,16-17,19H,5-8,13-14H2.
What are the key properties of 3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one has a molecular weight of 354.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is sourced from PubChem (CID 121186440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).