(3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C20H21FN2O3 — CID 121022249

IUPAC(3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(Oc2ccccn2)C3)cc1F
InChIInChI=1S/C20H21FN2O3/c1-25-18-8-5-13(10-17(18)21)20(24)23-14-6-7-15(23)12-16(11-14)26-19-4-2-3-9-22-19/h2-5,8-10,14-16H,6-7,11-12H2,1H3
InChIKeyKEEHEWUMMAGOCJ-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.44
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121022249) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID121022249
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(Oc2ccccn2)C3)cc1F
InChIInChI=1S/C20H21FN2O3/c1-25-18-8-5-13(10-17(18)21)20(24)23-14-6-7-15(23)12-16(11-14)26-19-4-2-3-9-22-19/h2-5,8-10,14-16H,6-7,11-12H2,1H3
InChIKeyKEEHEWUMMAGOCJ-UHFFFAOYSA-N
XLogP3.44
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone
CID 121195478
1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195310
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
N-(2,4-dimethoxyphenyl)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195642
8-methoxy-3-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)chromen-2-one
CID 121195530
(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195460
N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912326
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195501
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 121195347
(3-fluoro-4-methoxyphenyl)-[3-(4-methylpyrazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 154884029
(4-fluoro-3-methoxyphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 81002135

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121022249) is (3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is COc1ccc(C(=O)N2C3CCC2CC(Oc2ccccn2)C3)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is KEEHEWUMMAGOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-25-18-8-5-13(10-17(18)21)20(24)23-14-6-7-15(23)12-16(11-14)26-19-4-2-3-9-22-19/h2-5,8-10,14-16H,6-7,11-12H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 356.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121022249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).