1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one

C14H23N3O3 — CID 154739322

IUPAC1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one
SMILESCOCCC1COCCN1C(=O)CCc1cncn1C
InChIInChI=1S/C14H23N3O3/c1-16-11-15-9-12(16)3-4-14(18)17-6-8-20-10-13(17)5-7-19-2/h9,11,13H,3-8,10H2,1-2H3
InChIKeyORNSYUGHHNCTHY-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.62
Rot. Bonds6

About 1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one

1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one (PubChem CID 154739322) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one
PubChem CID154739322
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one
SMILESCOCCC1COCCN1C(=O)CCc1cncn1C
InChIInChI=1S/C14H23N3O3/c1-16-11-15-9-12(16)3-4-14(18)17-6-8-20-10-13(17)5-7-19-2/h9,11,13H,3-8,10H2,1-2H3
InChIKeyORNSYUGHHNCTHY-UHFFFAOYSA-N
XLogP0.62
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-1-[3-(2-methoxyethyl)morpholin-4-yl]propan-1-one
CID 136544071
1-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one
CID 125140028
5-methoxy-2-[3-(2-methoxyethyl)morpholine-4-carbonyl]pyran-4-one
CID 136544076
4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one
CID 124998191
4-imidazol-1-yl-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]butan-1-one
CID 124942838
2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
CID 110132201
3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
1-[3-(methylaminomethyl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 115270965
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124947820
1-[3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]-4-pyridin-4-ylbutan-1-one
CID 110133432
3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124944351
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one?
The IUPAC name of 1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one (CID 154739322) is 1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one?
The canonical SMILES for 1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one is COCCC1COCCN1C(=O)CCc1cncn1C.
What is the InChIKey of 1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one?
The InChIKey is ORNSYUGHHNCTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-16-11-15-9-12(16)3-4-14(18)17-6-8-20-10-13(17)5-7-19-2/h9,11,13H,3-8,10H2,1-2H3.
What are the key properties of 1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one?
1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one has a molecular weight of 281.36 g/mol, XLogP of 0.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)morpholin-4-yl]-3-(3-methylimidazol-4-yl)propan-1-one is sourced from PubChem (CID 154739322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).