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

C13H19N3O4 — CID 60956364

IUPAC2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCCC1CCO
InChIInChI=1S/C13H19N3O4/c17-8-6-10-3-1-2-7-15(10)13(20)9-16-12(19)5-4-11(18)14-16/h4-5,10,17H,1-3,6-9H2,(H,14,18)
InChIKeyLJTCKUWZKYNJBG-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.70
Rot. Bonds4

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

2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 60956364) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID60956364
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCCC1CCO
InChIInChI=1S/C13H19N3O4/c17-8-6-10-3-1-2-7-15(10)13(20)9-16-12(19)5-4-11(18)14-16/h4-5,10,17H,1-3,6-9H2,(H,14,18)
InChIKeyLJTCKUWZKYNJBG-UHFFFAOYSA-N
XLogP-0.70
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-(2-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

Related Compounds

2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43415993
2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43572846
2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43589525
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-2-yl]acetic acid
CID 61009806
N-cyclohexyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxyethyl)acetamide
CID 61582147
2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62371293
2-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62467009
2-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 63763083
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102634958
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 107363299
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(6-hydroxyhexyl)acetamide
CID 107363302
5-[2-(2-Hydroxyethyl)piperidine-1-carbonyl]-1,2-dihydropyrazol-3-one
CID 108466404

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 60956364) is 2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCCCC1CCO.
What is the InChIKey of 2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is LJTCKUWZKYNJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-8-6-10-3-1-2-7-15(10)13(20)9-16-12(19)5-4-11(18)14-16/h4-5,10,17H,1-3,6-9H2,(H,14,18).
What are the key properties of 2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 281.31 g/mol, XLogP of -0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 60956364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).