3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one

C13H19N3O2 — CID 55257188

IUPAC3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CCCC(C(C)=O)C2)c1=O
InChIInChI=1S/C13H19N3O2/c1-3-15-8-6-14-12(13(15)18)16-7-4-5-11(9-16)10(2)17/h6,8,11H,3-5,7,9H2,1-2H3
InChIKeyDPMWSJGAYRHNIS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.07
Rot. Bonds3

About 3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one

3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one (PubChem CID 55257188) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one
PubChem CID55257188
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CCCC(C(C)=O)C2)c1=O
InChIInChI=1S/C13H19N3O2/c1-3-15-8-6-14-12(13(15)18)16-7-4-5-11(9-16)10(2)17/h6,8,11H,3-5,7,9H2,1-2H3
InChIKeyDPMWSJGAYRHNIS-UHFFFAOYSA-N
XLogP1.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one (CID 55257188) is 3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one is CCn1ccnc(N2CCCC(C(C)=O)C2)c1=O.
What is the InChIKey of 3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one?
The InChIKey is DPMWSJGAYRHNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-15-8-6-14-12(13(15)18)16-7-4-5-11(9-16)10(2)17/h6,8,11H,3-5,7,9H2,1-2H3.
What are the key properties of 3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one?
3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one has a molecular weight of 249.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylpiperidin-1-yl)-1-ethylpyrazin-2-one is sourced from PubChem (CID 55257188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).