(5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one

C16H19FN2O4 — CID 95739791

IUPAC(5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
SMILESCN1C(=O)CO[C@@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1F
InChIInChI=1S/C16H19FN2O4/c1-18-13(20)10-23-15(16(21)19-6-8-22-9-7-19)14(18)11-4-2-3-5-12(11)17/h2-5,14-15H,6-10H2,1H3/t14-,15-/m1/s1
InChIKeyMWJRLVYOBWWDME-HUUCEWRRSA-N
MW322.34 g/mol
LogP0.58
Rot. Bonds2

About (5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one

(5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one (PubChem CID 95739791) has the molecular formula C16H19FN2O4 and a molecular weight of 322.34 g/mol. Its IUPAC name is (5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name(5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
PubChem CID95739791
Molecular FormulaC16H19FN2O4
Molecular Weight322.34 g/mol
Exact Mass322.13
IUPAC Name(5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
SMILESCN1C(=O)CO[C@@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1F
InChIInChI=1S/C16H19FN2O4/c1-18-13(20)10-23-15(16(21)19-6-8-22-9-7-19)14(18)11-4-2-3-5-12(11)17/h2-5,14-15H,6-10H2,1H3/t14-,15-/m1/s1
InChIKeyMWJRLVYOBWWDME-HUUCEWRRSA-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 (5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one?
The IUPAC name of (5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one (CID 95739791) is (5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one.
What is the SMILES notation for (5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one?
The canonical SMILES for (5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one is CN1C(=O)CO[C@@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1F.
What is the InChIKey of (5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one?
The InChIKey is MWJRLVYOBWWDME-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H19FN2O4/c1-18-13(20)10-23-15(16(21)19-6-8-22-9-7-19)14(18)11-4-2-3-5-12(11)17/h2-5,14-15H,6-10H2,1H3/t14-,15-/m1/s1.
What are the key properties of (5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one?
(5R,6R)-5-(2-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 (5R,6R)-5-(2-fluorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one is sourced from PubChem (CID 95739791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).