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

C17H25N3O3 — CID 110132168

IUPAC2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
SMILESO=C(CC1CCOCC1)N1CCOCC1CCc1cnccn1
InChIInChI=1S/C17H25N3O3/c21-17(11-14-3-8-22-9-4-14)20-7-10-23-13-16(20)2-1-15-12-18-5-6-19-15/h5-6,12,14,16H,1-4,7-11,13H2
InChIKeyNPBPOQNFFJUTSD-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.45
Rot. Bonds5

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

2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone (PubChem CID 110132168) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
PubChem CID110132168
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone
SMILESO=C(CC1CCOCC1)N1CCOCC1CCc1cnccn1
InChIInChI=1S/C17H25N3O3/c21-17(11-14-3-8-22-9-4-14)20-7-10-23-13-16(20)2-1-15-12-18-5-6-19-15/h5-6,12,14,16H,1-4,7-11,13H2
InChIKeyNPBPOQNFFJUTSD-UHFFFAOYSA-N
XLogP1.45
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone (CID 110132168) is 2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone is O=C(CC1CCOCC1)N1CCOCC1CCc1cnccn1.
What is the InChIKey of 2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone?
The InChIKey is NPBPOQNFFJUTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-17(11-14-3-8-22-9-4-14)20-7-10-23-13-16(20)2-1-15-12-18-5-6-19-15/h5-6,12,14,16H,1-4,7-11,13H2.
What are the key properties of 2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone?
2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone has a molecular weight of 319.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-1-[3-(2-pyrazin-2-ylethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 110132168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).