2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline

C18H19N5O — CID 163353005

IUPAC2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline
SMILESc1ccc2nc(N3CCCC(COc4cnccn4)C3)cnc2c1
InChIInChI=1S/C18H19N5O/c1-2-6-16-15(5-1)21-10-17(22-16)23-9-3-4-14(12-23)13-24-18-11-19-7-8-20-18/h1-2,5-8,10-11,14H,3-4,9,12-13H2
InChIKeyAVBQHQXFZWUUSJ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.72
Rot. Bonds4

About 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline

2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline (PubChem CID 163353005) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline
PubChem CID163353005
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline
SMILESc1ccc2nc(N3CCCC(COc4cnccn4)C3)cnc2c1
InChIInChI=1S/C18H19N5O/c1-2-6-16-15(5-1)21-10-17(22-16)23-9-3-4-14(12-23)13-24-18-11-19-7-8-20-18/h1-2,5-8,10-11,14H,3-4,9,12-13H2
InChIKeyAVBQHQXFZWUUSJ-UHFFFAOYSA-N
XLogP2.72
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline?
The IUPAC name of 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline (CID 163353005) is 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline.
What is the SMILES notation for 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline?
The canonical SMILES for 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline is c1ccc2nc(N3CCCC(COc4cnccn4)C3)cnc2c1.
What is the InChIKey of 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline?
The InChIKey is AVBQHQXFZWUUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-6-16-15(5-1)21-10-17(22-16)23-9-3-4-14(12-23)13-24-18-11-19-7-8-20-18/h1-2,5-8,10-11,14H,3-4,9,12-13H2.
What are the key properties of 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline?
2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline has a molecular weight of 321.38 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline is sourced from PubChem (CID 163353005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).