2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone

C19H23N3O4 — CID 110132201

IUPAC2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CCOCC2CCc2cnccn2)cc1
InChIInChI=1S/C19H23N3O4/c1-24-17-4-6-18(7-5-17)26-14-19(23)22-10-11-25-13-16(22)3-2-15-12-20-8-9-21-15/h4-9,12,16H,2-3,10-11,13-14H2,1H3
InChIKeyIRVUXIWCCPYKQM-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.72
Rot. Bonds7

About 2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone

2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone (PubChem CID 110132201) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
PubChem CID110132201
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
SMILESCOc1ccc(OCC(=O)N2CCOCC2CCc2cnccn2)cc1
InChIInChI=1S/C19H23N3O4/c1-24-17-4-6-18(7-5-17)26-14-19(23)22-10-11-25-13-16(22)3-2-15-12-20-8-9-21-15/h4-9,12,16H,2-3,10-11,13-14H2,1H3
InChIKeyIRVUXIWCCPYKQM-UHFFFAOYSA-N
XLogP1.72
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124940868
3-(4-chlorophenyl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124944351
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 124947820
[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyrimidin-2-ylmethanone
CID 110132170
3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]propan-1-one
CID 125021467
2-(4-fluorophenoxy)-1-[(3S)-3-[2-(3-methylpyrazin-2-yl)ethyl]morpholin-4-yl]ethanone
CID 124981179
1-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-2-thiophen-3-ylethanone
CID 124959044
(1-methylpyrrol-2-yl)-[(3R)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
CID 125013670
4-imidazol-1-yl-1-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]butan-1-one
CID 124998191
[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 110132191
[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]-[(3S)-3-(2-pyrazin-2-ylethyl)morpholin-4-yl]methanone
CID 125010537
1-[3-[(dimethylamino)methyl]morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone;formic acid
CID 71785945

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone (CID 110132201) is 2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone is COc1ccc(OCC(=O)N2CCOCC2CCc2cnccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone?
The InChIKey is IRVUXIWCCPYKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-24-17-4-6-18(7-5-17)26-14-19(23)22-10-11-25-13-16(22)3-2-15-12-20-8-9-21-15/h4-9,12,16H,2-3,10-11,13-14H2,1H3.
What are the key properties of 2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone?
2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone has a molecular weight of 357.41 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 110132201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).