3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide

C15H22FN2O2+ — CID 6941474

IUPAC3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide
SMILESC[C@@H]1C[NH+](CCC(=O)Nc2ccccc2F)C[C@@H](C)O1
InChIInChI=1S/C15H21FN2O2/c1-11-9-18(10-12(2)20-11)8-7-15(19)17-14-6-4-3-5-13(14)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/p+1/t11-,12-/m1/s1
InChIKeyJWQSBGYFIJATBJ-VXGBXAGGSA-O
MW281.35 g/mol
LogP0.85
Rot. Bonds4

About 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide

3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 6941474) has the molecular formula C15H22FN2O2+ and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide
PubChem CID6941474
Molecular FormulaC15H22FN2O2+
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide
SMILESC[C@@H]1C[NH+](CCC(=O)Nc2ccccc2F)C[C@@H](C)O1
InChIInChI=1S/C15H21FN2O2/c1-11-9-18(10-12(2)20-11)8-7-15(19)17-14-6-4-3-5-13(14)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/p+1/t11-,12-/m1/s1
InChIKeyJWQSBGYFIJATBJ-VXGBXAGGSA-O
XLogP0.85
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-3-(2-fluorophenyl)thiourea
CID 8785581
3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methoxyphenyl)propanamide
CID 6937956
3-(3,5-dimethylpiperidin-1-ium-1-yl)-N-(2-methylphenyl)propanamide
CID 4742360
3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-methylphenyl)propanamide
CID 7334329
N-(2-fluorophenyl)butanamide
CID 849021
N-(4-chloro-2-fluorophenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2474971
N-(1,3-benzodioxol-5-yl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanamide
CID 6934884
1-(3-chloro-2-methylphenyl)-3-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]thiourea
CID 8785603
1-(3-chloro-2-methylphenyl)-3-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]thiourea
CID 8785598
N-(2-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2508609
4-(2-fluoroanilino)-4-oxobutanoic acid
CID 573893
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide (CID 6941474) is 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide is C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2F)C[C@@H](C)O1.
What is the InChIKey of 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is JWQSBGYFIJATBJ-VXGBXAGGSA-O. The full InChI is InChI=1S/C15H21FN2O2/c1-11-9-18(10-12(2)20-11)8-7-15(19)17-14-6-4-3-5-13(14)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/p+1/t11-,12-/m1/s1.
What are the key properties of 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide?
3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 281.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 6941474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).