3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one

C18H26FNO4 — CID 129484646

IUPAC3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
SMILESCOC[C@H]1CN(C(=O)CCc2ccc(OC)c(F)c2)CC(C)(C)O1
InChIInChI=1S/C18H26FNO4/c1-18(2)12-20(10-14(24-18)11-22-3)17(21)8-6-13-5-7-16(23-4)15(19)9-13/h5,7,9,14H,6,8,10-12H2,1-4H3/t14-/m1/s1
InChIKeyCCSSLPOYFLCYLK-CQSZACIVSA-N
MW339.41 g/mol
LogP2.42
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one

3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one (PubChem CID 129484646) has the molecular formula C18H26FNO4 and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
PubChem CID129484646
Molecular FormulaC18H26FNO4
Molecular Weight339.41 g/mol
Exact Mass339.18
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
SMILESCOC[C@H]1CN(C(=O)CCc2ccc(OC)c(F)c2)CC(C)(C)O1
InChIInChI=1S/C18H26FNO4/c1-18(2)12-20(10-14(24-18)11-22-3)17(21)8-6-13-5-7-16(23-4)15(19)9-13/h5,7,9,14H,6,8,10-12H2,1-4H3/t14-/m1/s1
InChIKeyCCSSLPOYFLCYLK-CQSZACIVSA-N
XLogP2.42
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one with MolForge

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Related Compounds

2-(2-fluorophenoxy)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485675
2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248355
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256889
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-2-yl)methanone
CID 129484541
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119373451
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119373450
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 75405723
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide
CID 51275806
2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129486314
1-(3-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119377862
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119635594

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one (CID 129484646) is 3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one is COC[C@H]1CN(C(=O)CCc2ccc(OC)c(F)c2)CC(C)(C)O1.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one?
The InChIKey is CCSSLPOYFLCYLK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26FNO4/c1-18(2)12-20(10-14(24-18)11-22-3)17(21)8-6-13-5-7-16(23-4)15(19)9-13/h5,7,9,14H,6,8,10-12H2,1-4H3/t14-/m1/s1.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one?
3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one has a molecular weight of 339.41 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 129484646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).