2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

C13H19N3O4 — CID 106837075

IUPAC2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCC(O)C1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C13H19N3O4/c1-9(17)10-4-6-15(7-5-10)13(20)8-16-12(19)3-2-11(18)14-16/h2-3,9-10,17H,4-8H2,1H3,(H,14,18)
InChIKeyIOOWBWUUEPXXMC-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.84
Rot. Bonds3

About 2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 106837075) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID106837075
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESCC(O)C1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1
InChIInChI=1S/C13H19N3O4/c1-9(17)10-4-6-15(7-5-10)13(20)8-16-12(19)3-2-11(18)14-16/h2-3,9-10,17H,4-8H2,1H3,(H,14,18)
InChIKeyIOOWBWUUEPXXMC-UHFFFAOYSA-N
XLogP-0.84
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione 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 2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 106837075) is 2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is CC(O)C1CCN(C(=O)Cn2[nH]c(=O)ccc2=O)CC1.
What is the InChIKey of 2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is IOOWBWUUEPXXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-9(17)10-4-6-15(7-5-10)13(20)8-16-12(19)3-2-11(18)14-16/h2-3,9-10,17H,4-8H2,1H3,(H,14,18).
What are the key properties of 2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 281.31 g/mol, XLogP of -0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 106837075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).