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

C12H17N3O4 — CID 54878794

IUPAC2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC(CO)CC1
InChIInChI=1S/C12H17N3O4/c16-8-9-3-5-14(6-4-9)12(19)7-15-11(18)2-1-10(17)13-15/h1-2,9,16H,3-8H2,(H,13,17)
InChIKeyGMLCEKWKBNHZMS-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.23
Rot. Bonds3

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

2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 54878794) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID54878794
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC(CO)CC1
InChIInChI=1S/C12H17N3O4/c16-8-9-3-5-14(6-4-9)12(19)7-15-11(18)2-1-10(17)13-15/h1-2,9,16H,3-8H2,(H,13,17)
InChIKeyGMLCEKWKBNHZMS-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

Analyze 2-[2-[4-(hydroxymethyl)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-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 79612964
2-(2-oxo-2-piperidin-1-ylethyl)-1H-pyridazine-3,6-dione
CID 60634761
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66262147
2-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1H-pyridazine-3,6-dione
CID 71899333
5-amino-1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 62816686
2-[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]azetidin-3-yl]propanoic acid
CID 116680968
2-[2-[(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 50963039
(9aS)-2-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95120098
1-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 54878752
1-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]piperidin-4-one
CID 62024607
2-(4-fluorophenyl)sulfanyl-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878308
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 54878914

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 54878794) is 2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCC(CO)CC1.
What is the InChIKey of 2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is GMLCEKWKBNHZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-8-9-3-5-14(6-4-9)12(19)7-15-11(18)2-1-10(17)13-15/h1-2,9,16H,3-8H2,(H,13,17).
What are the key properties of 2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[4-(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-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 54878794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).