2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone

C13H20N4O2 — CID 62762183

IUPAC2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2cnccn2)CC1
InChIInChI=1S/C13H20N4O2/c1-19-10-13(18)17-6-2-11(3-7-17)16-9-12-8-14-4-5-15-12/h4-5,8,11,16H,2-3,6-7,9-10H2,1H3
InChIKeyVFZSYBLFISAFDV-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.20
Rot. Bonds5

About 2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone

2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone (PubChem CID 62762183) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone
PubChem CID62762183
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(NCc2cnccn2)CC1
InChIInChI=1S/C13H20N4O2/c1-19-10-13(18)17-6-2-11(3-7-17)16-9-12-8-14-4-5-15-12/h4-5,8,11,16H,2-3,6-7,9-10H2,1H3
InChIKeyVFZSYBLFISAFDV-UHFFFAOYSA-N
XLogP0.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone (CID 62762183) is 2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone is COCC(=O)N1CCC(NCc2cnccn2)CC1.
What is the InChIKey of 2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is VFZSYBLFISAFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-19-10-13(18)17-6-2-11(3-7-17)16-9-12-8-14-4-5-15-12/h4-5,8,11,16H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 264.33 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(pyrazin-2-ylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 62762183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).