(5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one

C16H19ClN2O4 — CID 95739584

IUPAC(5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
SMILESCN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O4/c1-18-13(20)10-23-15(16(21)19-6-8-22-9-7-19)14(18)11-2-4-12(17)5-3-11/h2-5,14-15H,6-10H2,1H3/t14-,15+/m1/s1
InChIKeyMMTLUNSZANOXHD-CABCVRRESA-N
MW338.79 g/mol
LogP1.10
Rot. Bonds2

About (5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one

(5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one (PubChem CID 95739584) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is (5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name(5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
PubChem CID95739584
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name(5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one
SMILESCN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN2O4/c1-18-13(20)10-23-15(16(21)19-6-8-22-9-7-19)14(18)11-2-4-12(17)5-3-11/h2-5,14-15H,6-10H2,1H3/t14-,15+/m1/s1
InChIKeyMMTLUNSZANOXHD-CABCVRRESA-N
XLogP1.10
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one with MolForge

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Related Compounds

(2s,5r,6s)-2-Benzyl-5,6-Bis(4-Chlorophenyl)-4-Methylmorpholin-3-One
CID 71305071
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3645747
[2-[Benzyl(methyl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2356232
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3988064
(3R,4S)-4-(4-chlorophenyl)-3-methoxy-1-methylsulfanylazetidin-2-one
CID 9965023
US10927128, Example 72
CID 135374669
US10927128, Example 73
CID 135374757
(2R,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxylic acid
CID 110160910
(2S,3R)-4-[(3-chlorophenyl)methyl]-5-oxo-3-phenylmorpholine-2-carboxylic acid
CID 110160911
(2S,3R)-3-(4-chlorophenyl)-4-[(3-fluorophenyl)methyl]-5-oxomorpholine-2-carboxylic acid
CID 110161303
(3S,4R)-4-(4-chlorophenyl)-3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 118717233
(Z)-2-[[(2R,3S)-2-(4-chlorophenyl)-3-methoxy-4-oxoazetidin-1-yl]methyl]-3-phenylprop-2-enenitrile
CID 134134132

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one?
The IUPAC name of (5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one (CID 95739584) is (5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one.
What is the SMILES notation for (5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one?
The canonical SMILES for (5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one is CN1C(=O)CO[C@H](C(=O)N2CCOCC2)[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of (5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one?
The InChIKey is MMTLUNSZANOXHD-CABCVRRESA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-18-13(20)10-23-15(16(21)19-6-8-22-9-7-19)14(18)11-2-4-12(17)5-3-11/h2-5,14-15H,6-10H2,1H3/t14-,15+/m1/s1.
What are the key properties of (5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one?
(5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one has a molecular weight of 338.79 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-(4-chlorophenyl)-4-methyl-6-(morpholine-4-carbonyl)morpholin-3-one is sourced from PubChem (CID 95739584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).