[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone

C17H19N3O2 — CID 95969181

IUPAC[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCO[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C17H19N3O2/c21-17(16-12-18-8-9-19-16)20-10-11-22-15(13-20)7-6-14-4-2-1-3-5-14/h1-5,8-9,12,15H,6-7,10-11,13H2/t15-/m0/s1
InChIKeyWVVKPTJUIGCYPR-HNNXBMFYSA-N
MW297.36 g/mol
LogP1.95
Rot. Bonds4

About [(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone

[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone (PubChem CID 95969181) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
PubChem CID95969181
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCO[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C17H19N3O2/c21-17(16-12-18-8-9-19-16)20-10-11-22-15(13-20)7-6-14-4-2-1-3-5-14/h1-5,8-9,12,15H,6-7,10-11,13H2/t15-/m0/s1
InChIKeyWVVKPTJUIGCYPR-HNNXBMFYSA-N
XLogP1.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-(2-phenylethyl)morpholin-4-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 56870270
[(2R)-2-(3-phenylpropyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 42377336
[(2S)-2-(3-phenylpropyl)morpholin-4-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95553259
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-(5-pyridin-4-yl-1H-pyrazol-4-yl)methanone
CID 97305915
4-oxo-4-[2-(2-phenylethyl)morpholin-4-yl]butanoic acid
CID 120550207
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839
pyrazin-2-yl-[6-(pyridin-3-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 102604258
[2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 110113908
[(4aR,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrazin-2-ylmethanone
CID 98793047
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone (CID 95969181) is [(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCO[C@@H](CCc2ccccc2)C1.
What is the InChIKey of [(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone?
The InChIKey is WVVKPTJUIGCYPR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(16-12-18-8-9-19-16)20-10-11-22-15(13-20)7-6-14-4-2-1-3-5-14/h1-5,8-9,12,15H,6-7,10-11,13H2/t15-/m0/s1.
What are the key properties of [(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone?
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone has a molecular weight of 297.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95969181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).