[1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C22H23FN2O2 — CID 121186133

IUPAC[1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(N1C2CCC1CC(Oc1cccnc1)C2)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN2O2/c23-16-5-3-15(4-6-16)22(9-10-22)21(26)25-17-7-8-18(25)13-20(12-17)27-19-2-1-11-24-14-19/h1-6,11,14,17-18,20H,7-10,12-13H2
InChIKeyWWFHXBGWBCUWES-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.85
Rot. Bonds4

About [1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

[1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121186133) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is [1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID121186133
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name[1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(N1C2CCC1CC(Oc1cccnc1)C2)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN2O2/c23-16-5-3-15(4-6-16)22(9-10-22)21(26)25-17-7-8-18(25)13-20(12-17)27-19-2-1-11-24-14-19/h1-6,11,14,17-18,20H,7-10,12-13H2
InChIKeyWWFHXBGWBCUWES-UHFFFAOYSA-N
XLogP3.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185870
[1-(4-fluorophenyl)cyclopropyl]-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 72939906
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
(5-methylpyrazin-2-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 119103729
(4-bromophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186056
N-(oxan-4-yl)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121186213
furan-3-yl-[(1S,5S)-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129357635
1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone
CID 121186032
(4-methylpiperazin-1-yl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186145
[3,5-bis(trifluoromethyl)phenyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186146
2-(2-methoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 119103733

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of [1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121186133) is [1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for [1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for [1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is O=C(N1C2CCC1CC(Oc1cccnc1)C2)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is WWFHXBGWBCUWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-16-5-3-15(4-6-16)22(9-10-22)21(26)25-17-7-8-18(25)13-20(12-17)27-19-2-1-11-24-14-19/h1-6,11,14,17-18,20H,7-10,12-13H2.
What are the key properties of [1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
[1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 366.44 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)cyclopropyl]-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121186133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).