3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one

C12H19N3O2 — CID 55154892

IUPAC3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCCC(O)C2)c1=O
InChIInChI=1S/C12H19N3O2/c1-9(2)15-7-5-13-11(12(15)17)14-6-3-4-10(16)8-14/h5,7,9-10,16H,3-4,6,8H2,1-2H3
InChIKeyZKAAQPRXEGPOJI-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.79
Rot. Bonds2

About 3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one

3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one (PubChem CID 55154892) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one
PubChem CID55154892
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(N2CCCC(O)C2)c1=O
InChIInChI=1S/C12H19N3O2/c1-9(2)15-7-5-13-11(12(15)17)14-6-3-4-10(16)8-14/h5,7,9-10,16H,3-4,6,8H2,1-2H3
InChIKeyZKAAQPRXEGPOJI-UHFFFAOYSA-N
XLogP0.79
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-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-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one (CID 55154892) is 3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(N2CCCC(O)C2)c1=O.
What is the InChIKey of 3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one?
The InChIKey is ZKAAQPRXEGPOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)15-7-5-13-11(12(15)17)14-6-3-4-10(16)8-14/h5,7,9-10,16H,3-4,6,8H2,1-2H3.
What are the key properties of 3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one?
3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypiperidin-1-yl)-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55154892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).