3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one

C14H20N2O3 — CID 124943373

IUPAC3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
SMILESCOCCC(=O)N1CCO[C@@H](c2ccnc(C)c2)C1
InChIInChI=1S/C14H20N2O3/c1-11-9-12(3-5-15-11)13-10-16(6-8-19-13)14(17)4-7-18-2/h3,5,9,13H,4,6-8,10H2,1-2H3/t13-/m1/s1
InChIKeyBCATWYCLOBVLEK-CYBMUJFWSA-N
MW264.32 g/mol
LogP1.33
Rot. Bonds4

About 3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one

3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one (PubChem CID 124943373) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
PubChem CID124943373
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
SMILESCOCCC(=O)N1CCO[C@@H](c2ccnc(C)c2)C1
InChIInChI=1S/C14H20N2O3/c1-11-9-12(3-5-15-11)13-10-16(6-8-19-13)14(17)4-7-18-2/h3,5,9,13H,4,6-8,10H2,1-2H3/t13-/m1/s1
InChIKeyBCATWYCLOBVLEK-CYBMUJFWSA-N
XLogP1.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124987741
1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 124976068
N-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 110102646
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124988564
5,5-dimethyl-3-[2-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124953622
1-[2-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110102640
3-(1H-indol-3-yl)-1-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one
CID 110102712
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 124949665
(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627
(4-ethylthiadiazol-5-yl)-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 124953555
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125009661

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one (CID 124943373) is 3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one is COCCC(=O)N1CCO[C@@H](c2ccnc(C)c2)C1.
What is the InChIKey of 3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one?
The InChIKey is BCATWYCLOBVLEK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-9-12(3-5-15-11)13-10-16(6-8-19-13)14(17)4-7-18-2/h3,5,9,13H,4,6-8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one?
3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one has a molecular weight of 264.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124943373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).