2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone

C15H22N4O4 — CID 91904385

IUPAC2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Oc2nccnc2N2CCOCC2)C1
InChIInChI=1S/C15H22N4O4/c1-21-11-13(20)19-5-2-12(10-19)23-15-14(16-3-4-17-15)18-6-8-22-9-7-18/h3-4,12H,2,5-11H2,1H3
InChIKeyNPBUBSDHFOPZOL-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.06
Rot. Bonds5

About 2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone

2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone (PubChem CID 91904385) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
PubChem CID91904385
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(Oc2nccnc2N2CCOCC2)C1
InChIInChI=1S/C15H22N4O4/c1-21-11-13(20)19-5-2-12(10-19)23-15-14(16-3-4-17-15)18-6-8-22-9-7-18/h3-4,12H,2,5-11H2,1H3
InChIKeyNPBUBSDHFOPZOL-UHFFFAOYSA-N
XLogP-0.06
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone (CID 91904385) is 2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone is COCC(=O)N1CCC(Oc2nccnc2N2CCOCC2)C1.
What is the InChIKey of 2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone?
The InChIKey is NPBUBSDHFOPZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-21-11-13(20)19-5-2-12(10-19)23-15-14(16-3-4-17-15)18-6-8-22-9-7-18/h3-4,12H,2,5-11H2,1H3.
What are the key properties of 2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone?
2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone has a molecular weight of 322.37 g/mol, XLogP of -0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(3-morpholin-4-ylpyrazin-2-yl)oxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 91904385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).