5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one

C16H19FN2O4 — CID 71689497

IUPAC5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
SMILESCN1C(=O)COC(C(=O)N2CCOCC2)C1c1cccc(F)c1
InChIInChI=1S/C16H19FN2O4/c1-18-13(20)10-23-15(16(21)19-5-7-22-8-6-19)14(18)11-3-2-4-12(17)9-11/h2-4,9,14-15H,5-8,10H2,1H3
InChIKeyLZZIJJSRWFKBKG-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.58
Rot. Bonds2

About 5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one

5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one (PubChem CID 71689497) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
PubChem CID71689497
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Name5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
SMILESCN1C(=O)COC(C(=O)N2CCOCC2)C1c1cccc(F)c1
InChIInChI=1S/C16H19FN2O4/c1-18-13(20)10-23-15(16(21)19-5-7-22-8-6-19)14(18)11-3-2-4-12(17)9-11/h2-4,9,14-15H,5-8,10H2,1H3
InChIKeyLZZIJJSRWFKBKG-UHFFFAOYSA-N
XLogP0.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one?
The IUPAC name of 5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one (CID 71689497) is 5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one.
What is the SMILES notation for 5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one?
The canonical SMILES for 5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one is CN1C(=O)COC(C(=O)N2CCOCC2)C1c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one?
The InChIKey is LZZIJJSRWFKBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O4/c1-18-13(20)10-23-15(16(21)19-5-7-22-8-6-19)14(18)11-3-2-4-12(17)9-11/h2-4,9,14-15H,5-8,10H2,1H3.
What are the key properties of 5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one?
5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one has a molecular weight of 322.34 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one is sourced from PubChem (CID 71689497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).