(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one

C16H19FN2O3 — CID 95740004

IUPAC(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
SMILESCN1C(=O)CO[C@H](C(=O)N2CCCC2)[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H19FN2O3/c1-18-13(20)10-22-15(16(21)19-7-2-3-8-19)14(18)11-5-4-6-12(17)9-11/h4-6,9,14-15H,2-3,7-8,10H2,1H3/t14-,15+/m1/s1
InChIKeyXLHXNROXIKZDCP-CABCVRRESA-N
MW306.34 g/mol
LogP1.35
Rot. Bonds2

About (5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one

(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one (PubChem CID 95740004) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is (5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
PubChem CID95740004
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
SMILESCN1C(=O)CO[C@H](C(=O)N2CCCC2)[C@H]1c1cccc(F)c1
InChIInChI=1S/C16H19FN2O3/c1-18-13(20)10-22-15(16(21)19-7-2-3-8-19)14(18)11-5-4-6-12(17)9-11/h4-6,9,14-15H,2-3,7-8,10H2,1H3/t14-,15+/m1/s1
InChIKeyXLHXNROXIKZDCP-CABCVRRESA-N
XLogP1.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S,6S)-5-(4-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one
CID 97457645
5-(3-fluorophenyl)-4-methyl-6-(4-prop-2-enyl-1,4-diazepane-1-carbonyl)morpholin-3-one
CID 110280908
(5S,6R)-6-(azepane-1-carbonyl)-5-(4-fluorophenyl)-4-methylmorpholin-3-one
CID 97457639
(5S,6S)-6-(3-fluorophenyl)-1-methyl-5-(pyrrolidine-1-carbonyl)piperidin-2-one
CID 95740162
(5S,6R)-6-(3-fluorophenyl)-1-methyl-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95740187
(2S,3S)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739933
(2R,3R)-N-cyclopentyl-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739930
(5R,6S)-4-methyl-5-(4-methylphenyl)-6-(piperidine-1-carbonyl)morpholin-3-one
CID 97457457
(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 95738127
(2S,3S)-3-(3-fluorophenyl)-4-methyl-N-(1-methylpyrazol-4-yl)-5-oxomorpholine-2-carboxamide
CID 95739882
N-(2,5-dimethylpyrazol-3-yl)-3-(3-fluorophenyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 71689485
(5R,6S)-5-(4-fluorophenyl)-4-methyl-6-[(3R)-3-methylpiperidine-1-carbonyl]morpholin-3-one
CID 98881799

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one?
The IUPAC name of (5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one (CID 95740004) is (5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one.
What is the SMILES notation for (5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one?
The canonical SMILES for (5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one is CN1C(=O)CO[C@H](C(=O)N2CCCC2)[C@H]1c1cccc(F)c1.
What is the InChIKey of (5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one?
The InChIKey is XLHXNROXIKZDCP-CABCVRRESA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-18-13(20)10-22-15(16(21)19-7-2-3-8-19)14(18)11-5-4-6-12(17)9-11/h4-6,9,14-15H,2-3,7-8,10H2,1H3/t14-,15+/m1/s1.
What are the key properties of (5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one?
(5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one has a molecular weight of 306.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(3-fluorophenyl)-4-methyl-6-(pyrrolidine-1-carbonyl)morpholin-3-one is sourced from PubChem (CID 95740004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).