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

C13H19N3O4 — CID 62371293

IUPAC2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H19N3O4/c17-7-5-10-2-1-6-15(8-10)13(20)9-16-12(19)4-3-11(18)14-16/h3-4,10,17H,1-2,5-9H2,(H,14,18)
InChIKeyFYSZWCABYPEFQT-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.84
Rot. Bonds4

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

2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 62371293) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID62371293
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCC(CCO)C1
InChIInChI=1S/C13H19N3O4/c17-7-5-10-2-1-6-15(8-10)13(20)9-16-12(19)4-3-11(18)14-16/h3-4,10,17H,1-2,5-9H2,(H,14,18)
InChIKeyFYSZWCABYPEFQT-UHFFFAOYSA-N
XLogP-0.84
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 ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 54878794
2-[2-[2-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 60956364
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-3-yl]acetic acid
CID 62689731
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64929098
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 65904671
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 65926548
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-ethyl-4-hydroxybutyl)acetamide
CID 80308270
2-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 102958775
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106123937
2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 106837075

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 62371293) is 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCCC(CCO)C1.
What is the InChIKey of 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is FYSZWCABYPEFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-7-5-10-2-1-6-15(8-10)13(20)9-16-12(19)4-3-11(18)14-16/h3-4,10,17H,1-2,5-9H2,(H,14,18).
What are the key properties of 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 281.31 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 62371293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).