5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one

C16H15FN2O3 — CID 39997853

IUPAC5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C16H15FN2O3/c17-13-4-1-11(2-5-13)14-10-19(7-8-22-14)16(21)12-3-6-15(20)18-9-12/h1-6,9,14H,7-8,10H2,(H,18,20)/t14-/m1/s1
InChIKeyXDMHEXQZJVXWRD-CQSZACIVSA-N
MW302.31 g/mol
LogP1.73
Rot. Bonds2

About 5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one

5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 39997853) has the molecular formula C16H15FN2O3 and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID39997853
Molecular FormulaC16H15FN2O3
Molecular Weight302.31 g/mol
Exact Mass302.11
IUPAC Name5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C16H15FN2O3/c17-13-4-1-11(2-5-13)14-10-19(7-8-22-14)16(21)12-3-6-15(20)18-9-12/h1-6,9,14H,7-8,10H2,(H,18,20)/t14-/m1/s1
InChIKeyXDMHEXQZJVXWRD-CQSZACIVSA-N
XLogP1.73
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
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N1-(4-fluorobenzyl)-N2-(2-oxo-2-(2-phenylmorpholino)ethyl)oxalamide
CID 16894937
N-(2-(cyclohex-1-en-1-yl)ethyl)-5-((4-fluorobenzyl)oxy)-4-oxo-4H-pyran-2-carboxamide
CID 42227189
N-(3-methoxypropyl)-2-(2-phenylmorpholin-4-yl)acetamide
CID 51080680
3-[2-(4-chlorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56817627
2-{[2-(4-Fluorophenyl)-4-morpholinyl]methyl}-3,5-dimethyl-4-pyridinol
CID 56862808

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one (CID 39997853) is 5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of 5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is XDMHEXQZJVXWRD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15FN2O3/c17-13-4-1-11(2-5-13)14-10-19(7-8-22-14)16(21)12-3-6-15(20)18-9-12/h1-6,9,14H,7-8,10H2,(H,18,20)/t14-/m1/s1.
What are the key properties of 5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one?
5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 302.31 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 39997853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).