1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone

C19H22N2O2 — CID 124619460

IUPAC1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone
SMILESCc1cnccc1CC(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C
InChIInChI=1S/C19H22N2O2/c1-14-11-20-9-8-17(14)10-19(22)21-12-18(23-13-15(21)2)16-6-4-3-5-7-16/h3-9,11,15,18H,10,12-13H2,1-2H3/t15-,18+/m1/s1
InChIKeyJSNXOZVPKZOGDM-QAPCUYQASA-N
MW310.40 g/mol
LogP2.92
Rot. Bonds3

About 1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone

1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone (PubChem CID 124619460) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone
PubChem CID124619460
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone
SMILESCc1cnccc1CC(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C
InChIInChI=1S/C19H22N2O2/c1-14-11-20-9-8-17(14)10-19(22)21-12-18(23-13-15(21)2)16-6-4-3-5-7-16/h3-9,11,15,18H,10,12-13H2,1-2H3/t15-,18+/m1/s1
InChIKeyJSNXOZVPKZOGDM-QAPCUYQASA-N
XLogP2.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(5-methyl-2-phenylmorpholin-4-yl)ethanone
CID 110369331
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619076
1-[(2R,5S)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-pyridin-4-ylethanone
CID 124619075
(3-chloro-4-pyridinyl)-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 124504814
[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124711560
5-[(2S,5S)-5-methyl-2-phenylmorpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124696561
(4-bromophenyl)-(5-methyl-2-phenylmorpholin-4-yl)methanone
CID 110369319
1-[(2S,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 97072789
(E)-1-[(2S,5S)-5-methyl-2-phenylmorpholin-4-yl]-3-(2-methyl-1,3-thiazol-5-yl)prop-2-en-1-one
CID 96525896
(3R)-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-pyridin-4-ylbutan-1-one
CID 97007562
1-[(2S,5R)-2-(3-chlorophenyl)-5-methylmorpholin-4-yl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanone
CID 124619662
2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one
CID 119769860

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone?
The IUPAC name of 1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone (CID 124619460) is 1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone.
What is the SMILES notation for 1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone?
The canonical SMILES for 1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone is Cc1cnccc1CC(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C.
What is the InChIKey of 1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone?
The InChIKey is JSNXOZVPKZOGDM-QAPCUYQASA-N. The full InChI is InChI=1S/C19H22N2O2/c1-14-11-20-9-8-17(14)10-19(22)21-12-18(23-13-15(21)2)16-6-4-3-5-7-16/h3-9,11,15,18H,10,12-13H2,1-2H3/t15-,18+/m1/s1.
What are the key properties of 1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone?
1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone has a molecular weight of 310.40 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-5-methyl-2-phenylmorpholin-4-yl]-2-(3-methyl-4-pyridinyl)ethanone is sourced from PubChem (CID 124619460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).