2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone

C13H25N3O3 — CID 50968590

IUPAC2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone
SMILESCOCCOCC(=O)N1CCN2CCN(C)CC2C1
InChIInChI=1S/C13H25N3O3/c1-14-3-4-15-5-6-16(10-12(15)9-14)13(17)11-19-8-7-18-2/h12H,3-11H2,1-2H3
InChIKeyKWFMKVSUKDINBP-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.89
Rot. Bonds5

About 2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone

2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone (PubChem CID 50968590) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone
PubChem CID50968590
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone
SMILESCOCCOCC(=O)N1CCN2CCN(C)CC2C1
InChIInChI=1S/C13H25N3O3/c1-14-3-4-15-5-6-16(10-12(15)9-14)13(17)11-19-8-7-18-2/h12H,3-11H2,1-2H3
InChIKeyKWFMKVSUKDINBP-UHFFFAOYSA-N
XLogP-0.89
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone (CID 50968590) is 2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone is COCCOCC(=O)N1CCN2CCN(C)CC2C1.
What is the InChIKey of 2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone?
The InChIKey is KWFMKVSUKDINBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-14-3-4-15-5-6-16(10-12(15)9-14)13(17)11-19-8-7-18-2/h12H,3-11H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone?
2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of -0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)ethanone is sourced from PubChem (CID 50968590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).