3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one

C17H19N3O3 — CID 124947678

IUPAC3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
SMILESO=C(CCOc1ccccc1)N1CCO[C@@H](c2cnccn2)C1
InChIInChI=1S/C17H19N3O3/c21-17(6-10-22-14-4-2-1-3-5-14)20-9-11-23-16(13-20)15-12-18-7-8-19-15/h1-5,7-8,12,16H,6,9-11,13H2/t16-/m1/s1
InChIKeyCHGKQHWKQYQFLB-MRXNPFEDSA-N
MW313.36 g/mol
LogP1.85
Rot. Bonds5

About 3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one

3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one (PubChem CID 124947678) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
PubChem CID124947678
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
SMILESO=C(CCOc1ccccc1)N1CCO[C@@H](c2cnccn2)C1
InChIInChI=1S/C17H19N3O3/c21-17(6-10-22-14-4-2-1-3-5-14)20-9-11-23-16(13-20)15-12-18-7-8-19-15/h1-5,7-8,12,16H,6,9-11,13H2/t16-/m1/s1
InChIKeyCHGKQHWKQYQFLB-MRXNPFEDSA-N
XLogP1.85
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-pyrazin-2-ylmorpholin-4-yl)-3-pyridin-3-ylpropan-1-one
CID 127246248
1-(2-pyrazin-2-ylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 127246266
3-(1H-indol-3-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124952727
2-cyclopentyl-1-(2-pyrazin-2-ylmorpholin-4-yl)ethanone
CID 127246236
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124944928
2-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]ethanone
CID 124953915
2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 97015199
1-[2-(4-fluorophenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110326763
1-[2-[2-(2-methoxyethyl)tetrazol-5-yl]morpholin-4-yl]-3-phenoxypropan-1-one
CID 155493815
(2-methoxyphenyl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246249
(4-methoxyphenyl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124969089
1-[2-(4-ethylphenyl)morpholin-4-yl]-4-phenoxybutan-1-one
CID 110364018

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one?
The IUPAC name of 3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one (CID 124947678) is 3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one is O=C(CCOc1ccccc1)N1CCO[C@@H](c2cnccn2)C1.
What is the InChIKey of 3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one?
The InChIKey is CHGKQHWKQYQFLB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-17(6-10-22-14-4-2-1-3-5-14)20-9-11-23-16(13-20)15-12-18-7-8-19-15/h1-5,7-8,12,16H,6,9-11,13H2/t16-/m1/s1.
What are the key properties of 3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one?
3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one has a molecular weight of 313.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 124947678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).