(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C19H19FN2O2 — CID 121185870

IUPAC(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C19H19FN2O2/c20-14-5-3-13(4-6-14)19(23)22-15-7-8-16(22)11-18(10-15)24-17-2-1-9-21-12-17/h1-6,9,12,15-16,18H,7-8,10-11H2
InChIKeyRCEZTGSLEKZLJJ-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.44
Rot. Bonds3

About (4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121185870) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID121185870
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1C2CCC1CC(Oc1cccnc1)C2
InChIInChI=1S/C19H19FN2O2/c20-14-5-3-13(4-6-14)19(23)22-15-7-8-16(22)11-18(10-15)24-17-2-1-9-21-12-17/h1-6,9,12,15-16,18H,7-8,10-11H2
InChIKeyRCEZTGSLEKZLJJ-UHFFFAOYSA-N
XLogP3.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121185870) is (4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(c1ccc(F)cc1)N1C2CCC1CC(Oc1cccnc1)C2.
What is the InChIKey of (4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is RCEZTGSLEKZLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-14-5-3-13(4-6-14)19(23)22-15-7-8-16(22)11-18(10-15)24-17-2-1-9-21-12-17/h1-6,9,12,15-16,18H,7-8,10-11H2.
What are the key properties of (4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 326.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121185870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).