1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone

C13H18N2O3 — CID 112537732

IUPAC1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone
SMILESCOCC1COCCN1C(=O)Cc1ccccn1
InChIInChI=1S/C13H18N2O3/c1-17-9-12-10-18-7-6-15(12)13(16)8-11-4-2-3-5-14-11/h2-5,12H,6-10H2,1H3
InChIKeyOICYIBHULSVYPE-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.50
Rot. Bonds4

About 1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone

1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone (PubChem CID 112537732) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone
PubChem CID112537732
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone
SMILESCOCC1COCCN1C(=O)Cc1ccccn1
InChIInChI=1S/C13H18N2O3/c1-17-9-12-10-18-7-6-15(12)13(16)8-11-4-2-3-5-14-11/h2-5,12H,6-10H2,1H3
InChIKeyOICYIBHULSVYPE-UHFFFAOYSA-N
XLogP0.50
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 112537756
1-[3-(aminomethyl)morpholin-4-yl]-4-pyridin-2-ylbutan-1-one
CID 115270907
1-[3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]-2-pyridin-2-ylethanone
CID 131657943
1-[3-(oxan-4-ylmethyl)morpholin-4-yl]-3-pyridin-2-ylpropan-1-one
CID 136567968
2-[4-[2-[methyl(pyridin-2-ylmethyl)amino]acetyl]morpholin-3-yl]acetic acid
CID 118796116
1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 56713732
2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97485841
1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-2-pyridin-2-ylethanone
CID 135101767
tert-butyl 3-[(pyridin-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107249690
1-[(4aR,7R,7aR)-7-ethoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-pyridin-2-ylethanone
CID 124826822
1-[(4aS,7R,7aR)-7-(cyclopropylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-pyridin-2-ylethanone
CID 97365416
1-[(2S,3S)-3-methoxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 97470809

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone (CID 112537732) is 1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone is COCC1COCCN1C(=O)Cc1ccccn1.
What is the InChIKey of 1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone?
The InChIKey is OICYIBHULSVYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-9-12-10-18-7-6-15(12)13(16)8-11-4-2-3-5-14-11/h2-5,12H,6-10H2,1H3.
What are the key properties of 1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone?
1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone has a molecular weight of 250.30 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)morpholin-4-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 112537732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).