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

C20H19F3N2O2 — CID 121186393

IUPAC(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)14-3-1-13(2-4-14)19(26)25-15-5-6-16(25)12-18(11-15)27-17-7-9-24-10-8-17/h1-4,7-10,15-16,18H,5-6,11-12H2
InChIKeyLRTCEZAUZXCTKG-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.32
Rot. Bonds3

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

(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 121186393) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID121186393
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1C2CCC1CC(Oc1ccncc1)C2
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)14-3-1-13(2-4-14)19(26)25-15-5-6-16(25)12-18(11-15)27-17-7-9-24-10-8-17/h1-4,7-10,15-16,18H,5-6,11-12H2
InChIKeyLRTCEZAUZXCTKG-UHFFFAOYSA-N
XLogP4.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone with MolForge

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186625
(4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186547
methyl 4-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzoate
CID 121186374
[3,5-bis(trifluoromethyl)phenyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186146
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 63763280
(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185870
(2-chlorophenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186471
(4-bromophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186056
(4-bromothiophen-2-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186612
2-phenoxy-1-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121186339
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186495
isoquinolin-1-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186611

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 121186393) is (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1C2CCC1CC(Oc1ccncc1)C2.
What is the InChIKey of (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is LRTCEZAUZXCTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)14-3-1-13(2-4-14)19(26)25-15-5-6-16(25)12-18(11-15)27-17-7-9-24-10-8-17/h1-4,7-10,15-16,18H,5-6,11-12H2.
What are the key properties of (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone?
(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 376.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 121186393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).