1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone

C15H22N2O3 — CID 129485565

IUPAC1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone
SMILESCOC[C@@H]1CN(C(=O)Cc2cccnc2)CC(C)(C)O1
InChIInChI=1S/C15H22N2O3/c1-15(2)11-17(9-13(20-15)10-19-3)14(18)7-12-5-4-6-16-8-12/h4-6,8,13H,7,9-11H2,1-3H3/t13-/m0/s1
InChIKeyHERYGAONWDFTSE-ZDUSSCGKSA-N
MW278.35 g/mol
LogP1.28
Rot. Bonds4

About 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone

1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone (PubChem CID 129485565) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone
PubChem CID129485565
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone
SMILESCOC[C@@H]1CN(C(=O)Cc2cccnc2)CC(C)(C)O1
InChIInChI=1S/C15H22N2O3/c1-15(2)11-17(9-13(20-15)10-19-3)14(18)7-12-5-4-6-16-8-12/h4-6,8,13H,7,9-11H2,1-3H3/t13-/m0/s1
InChIKeyHERYGAONWDFTSE-ZDUSSCGKSA-N
XLogP1.28
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
CID 129484445
1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
CID 129484446
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129351165
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone
CID 129351192
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-methoxyphenyl)ethanone
CID 114781425
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(6-methyl-3-pyridinyl)methanone
CID 129485933
2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 128969518
[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 128964827
2-(3-bromophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114778963
1-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-2-(3-chlorophenyl)ethanone
CID 114781279

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone (CID 129485565) is 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone is COC[C@@H]1CN(C(=O)Cc2cccnc2)CC(C)(C)O1.
What is the InChIKey of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone?
The InChIKey is HERYGAONWDFTSE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)11-17(9-13(20-15)10-19-3)14(18)7-12-5-4-6-16-8-12/h4-6,8,13H,7,9-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone?
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone has a molecular weight of 278.35 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 129485565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).