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

C12H17N3O4 — CID 43589525

IUPAC2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCC(CO)C1
InChIInChI=1S/C12H17N3O4/c16-8-9-2-1-5-14(6-9)12(19)7-15-11(18)4-3-10(17)13-15/h3-4,9,16H,1-2,5-8H2,(H,13,17)
InChIKeyHYXLGUHRRONMJR-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.23
Rot. Bonds3

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

2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 43589525) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID43589525
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCCC(CO)C1
InChIInChI=1S/C12H17N3O4/c16-8-9-2-1-5-14(6-9)12(19)7-15-11(18)4-3-10(17)13-15/h3-4,9,16H,1-2,5-8H2,(H,13,17)
InChIKeyHYXLGUHRRONMJR-UHFFFAOYSA-N
XLogP-1.23
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-3-carboxylic acid
CID 43355778
2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43415993
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-[2-[3-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62371293
(3R)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-3-carboxylic acid
CID 81119629
(3S)-1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidine-3-carboxylic acid
CID 81125302
2-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 102958775
2-[2-[4-(1-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 106837075
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202491
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxypentyl)acetamide
CID 107318397
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 107363298

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 43589525) is 2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCCC(CO)C1.
What is the InChIKey of 2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is HYXLGUHRRONMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-8-9-2-1-5-14(6-9)12(19)7-15-11(18)4-3-10(17)13-15/h3-4,9,16H,1-2,5-8H2,(H,13,17).
What are the key properties of 2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 267.28 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 43589525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).