4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one

C17H17ClN2O3 — CID 124568472

IUPAC4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one
SMILESC[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-10-23-15(13-4-2-3-5-14(13)18)9-20(11)17(22)12-6-7-19-16(21)8-12/h2-8,11,15H,9-10H2,1H3,(H,19,21)/t11-,15-/m1/s1
InChIKeyHFQIDGHSCXPIFK-IAQYHMDHSA-N
MW332.79 g/mol
LogP2.63
Rot. Bonds2

About 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one

4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one (PubChem CID 124568472) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one
PubChem CID124568472
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one
SMILESC[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc[nH]c(=O)c1
InChIInChI=1S/C17H17ClN2O3/c1-11-10-23-15(13-4-2-3-5-14(13)18)9-20(11)17(22)12-6-7-19-16(21)8-12/h2-8,11,15H,9-10H2,1H3,(H,19,21)/t11-,15-/m1/s1
InChIKeyHFQIDGHSCXPIFK-IAQYHMDHSA-N
XLogP2.63
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminophenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 119784353
(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carboxamide
CID 146049310
[(2R,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 96511165
(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
(5-amino-2-methylphenyl)-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]methanone;hydrochloride
CID 120632693
4-[[[2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021175
1-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 124686478
5-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]thiophene-3-carbonitrile
CID 124609421
4-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]butan-1-one
CID 119324084
[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 56786709
[(2R,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]-(4-methyloxan-4-yl)methanone
CID 95620407
(2R,5S)-2-(2-chlorophenyl)-5-methyl-N-(1H-pyrazol-4-yl)morpholine-4-carboxamide
CID 95979779

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one (CID 124568472) is 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one is C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one?
The InChIKey is HFQIDGHSCXPIFK-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11-10-23-15(13-4-2-3-5-14(13)18)9-20(11)17(22)12-6-7-19-16(21)8-12/h2-8,11,15H,9-10H2,1H3,(H,19,21)/t11-,15-/m1/s1.
What are the key properties of 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one?
4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one has a molecular weight of 332.79 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholine-4-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 124568472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).