(5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one

C18H21FN2O3 — CID 128986276

IUPAC(5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one
SMILESC[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N1CCC=C(F)C1
InChIInChI=1S/C18H21FN2O3/c1-13-17(18(23)20-9-5-8-15(19)11-20)21(16(22)12-24-13)10-14-6-3-2-4-7-14/h2-4,6-8,13,17H,5,9-12H2,1H3/t13-,17+/m1/s1
InChIKeyOUMBDNMTXLHLCV-DYVFJYSZSA-N
MW332.37 g/mol
LogP1.89
Rot. Bonds3

About (5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one

(5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one (PubChem CID 128986276) has the molecular formula C18H21FN2O3 and a molecular weight of 332.37 g/mol. Its IUPAC name is (5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one.

Molecular Properties

Compound Name(5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one
PubChem CID128986276
Molecular FormulaC18H21FN2O3
Molecular Weight332.37 g/mol
Exact Mass332.15
IUPAC Name(5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one
SMILESC[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N1CCC=C(F)C1
InChIInChI=1S/C18H21FN2O3/c1-13-17(18(23)20-9-5-8-15(19)11-20)21(16(22)12-24-13)10-14-6-3-2-4-7-14/h2-4,6-8,13,17H,5,9-12H2,1H3/t13-,17+/m1/s1
InChIKeyOUMBDNMTXLHLCV-DYVFJYSZSA-N
XLogP1.89
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one with MolForge

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Related Compounds

tert-butyl N-[[(3S)-1-[(3S)-4-benzyl-2-methyl-5-oxomorpholine-3-carbonyl]piperidin-3-yl]methyl]carbamate
CID 90675704
(2R,3S)-4-benzyl-N-(2-chloro-3-fluoro-4-pyridinyl)-2-methyl-5-oxomorpholine-3-carboxamide
CID 167807149
(2R,3S)-4-benzyl-N-(2-ethylpyrimidin-5-yl)-2-methyl-5-oxomorpholine-3-carboxamide
CID 128985776
(2R,3S)-4-benzyl-2-methyl-5-oxo-N-[[4-(piperazin-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide
CID 154856977
tert-butyl N-[[(3S)-1-[(3S)-2-methyl-4-[(4-methylphenyl)methyl]-5-oxomorpholine-3-carbonyl]piperidin-3-yl]methyl]carbamate
CID 90675703
1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110631322
(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
CID 164663630
(4aR,7aS)-4-benzyl-6-(cyclopropanecarbonyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775203
2-[(3R,4R,5S)-4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl]acetic acid
CID 928429
2-(4-acetyl-1-benzyl-5-methyl-2-oxopyrrolidin-3-yl)acetic acid
CID 3486622
tert-butyl (4aR,8aS)-1-benzyl-2-oxo-5,7,8,8a-tetrahydro-4aH-pyrido[3,4-b][1,4]oxazine-6-carboxylate
CID 165147215
(5R)-4-benzyl-5-[4-(difluoromethyl)-4-hydroxypiperidine-1-carbonyl]morpholin-3-one
CID 136581023

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one?
The IUPAC name of (5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one (CID 128986276) is (5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one.
What is the SMILES notation for (5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one?
The canonical SMILES for (5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one is C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)N1CCC=C(F)C1.
What is the InChIKey of (5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one?
The InChIKey is OUMBDNMTXLHLCV-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-13-17(18(23)20-9-5-8-15(19)11-20)21(16(22)12-24-13)10-14-6-3-2-4-7-14/h2-4,6-8,13,17H,5,9-12H2,1H3/t13-,17+/m1/s1.
What are the key properties of (5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one?
(5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one has a molecular weight of 332.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-4-benzyl-5-(5-fluoro-3,6-dihydro-2H-pyridine-1-carbonyl)-6-methylmorpholin-3-one is sourced from PubChem (CID 128986276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).