3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one

C13H20N4O2 — CID 23559314

IUPAC3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one
SMILESCc1nc(N)c(=O)n(CC(=O)N2CCCCC2)c1C
InChIInChI=1S/C13H20N4O2/c1-9-10(2)17(13(19)12(14)15-9)8-11(18)16-6-4-3-5-7-16/h3-8H2,1-2H3,(H2,14,15)
InChIKeySRKAOZRHNPOBPB-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.45
Rot. Bonds2

About 3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one

3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one (PubChem CID 23559314) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one.

Molecular Properties

Compound Name3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one
PubChem CID23559314
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one
SMILESCc1nc(N)c(=O)n(CC(=O)N2CCCCC2)c1C
InChIInChI=1S/C13H20N4O2/c1-9-10(2)17(13(19)12(14)15-9)8-11(18)16-6-4-3-5-7-16/h3-8H2,1-2H3,(H2,14,15)
InChIKeySRKAOZRHNPOBPB-UHFFFAOYSA-N
XLogP0.45
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-piperidin-1-yl-1H-pyrazin-2-one
CID 91052645
[5,6-Dimethyl-3-oxo-4-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-yl]azanide;tungsten
CID 59948010

Frequently Asked Questions

What is the IUPAC name of 3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one?
The IUPAC name of 3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one (CID 23559314) is 3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one.
What is the SMILES notation for 3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one?
The canonical SMILES for 3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one is Cc1nc(N)c(=O)n(CC(=O)N2CCCCC2)c1C.
What is the InChIKey of 3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one?
The InChIKey is SRKAOZRHNPOBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-10(2)17(13(19)12(14)15-9)8-11(18)16-6-4-3-5-7-16/h3-8H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one?
3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5,6-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazin-2-one is sourced from PubChem (CID 23559314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).