(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C15H18FNO3 — CID 171947320

IUPAC(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C15H18FNO3/c1-19-14-3-2-10(16)6-13(14)15(18)9-4-11-7-20-8-12(5-9)17-11/h2-3,6,9,11-12,17H,4-5,7-8H2,1H3
InChIKeyQOUMDAFPSYGIGQ-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.78
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171947320) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171947320
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C15H18FNO3/c1-19-14-3-2-10(16)6-13(14)15(18)9-4-11-7-20-8-12(5-9)17-11/h2-3,6,9,11-12,17H,4-5,7-8H2,1H3
InChIKeyQOUMDAFPSYGIGQ-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone with MolForge

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947307
4-(5-fluoro-2-methoxybenzoyl)cyclohexan-1-one
CID 116920251
2-methoxy-6-(3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonyl)benzonitrile
CID 171939716
(5-fluoro-2-methoxyphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171947309
(3-methoxy-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943513
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 171940818
(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone
CID 105125105
(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944232
8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone
CID 171947080
(6-methoxypyridazin-3-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943887
(5-fluoro-3-methyl-2-pyridinyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171943837
(5-fluoro-2-methoxyphenyl)-thiomorpholin-3-ylmethanone
CID 116609664

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171947320) is (5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is COc1ccc(F)cc1C(=O)C1CC2COCC(C1)N2.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is QOUMDAFPSYGIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-19-14-3-2-10(16)6-13(14)15(18)9-4-11-7-20-8-12(5-9)17-11/h2-3,6,9,11-12,17H,4-5,7-8H2,1H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
(5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 279.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171947320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).