5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one

C13H19N3O3 — CID 114679803

IUPAC5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(O)C(C)C2)c1C
InChIInChI=1S/C13H19N3O3/c1-7-6-16(5-4-10(7)17)13(19)11-8(2)9(3)14-15-12(11)18/h7,10,17H,4-6H2,1-3H3,(H,15,18)
InChIKeyPRMLEPTXXWIHBY-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.23
Rot. Bonds1

About 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one

5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one (PubChem CID 114679803) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one
PubChem CID114679803
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(C(=O)N2CCC(O)C(C)C2)c1C
InChIInChI=1S/C13H19N3O3/c1-7-6-16(5-4-10(7)17)13(19)11-8(2)9(3)14-15-12(11)18/h7,10,17H,4-6H2,1-3H3,(H,15,18)
InChIKeyPRMLEPTXXWIHBY-UHFFFAOYSA-N
XLogP0.23
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one 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

3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 154857691
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 115775106
5-[(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 99818989
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate
CID 43431338
5-[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 82016344
5-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 167911206
3,4-dimethyl-5-[4-[[methyl(propan-2-yl)amino]methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 56820100
(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 114680256
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677536
(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104956560
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]methanone
CID 100634778
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677537

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one?
The IUPAC name of 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one (CID 114679803) is 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(C(=O)N2CCC(O)C(C)C2)c1C.
What is the InChIKey of 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one?
The InChIKey is PRMLEPTXXWIHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-7-6-16(5-4-10(7)17)13(19)11-8(2)9(3)14-15-12(11)18/h7,10,17H,4-6H2,1-3H3,(H,15,18).
What are the key properties of 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one?
5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one has a molecular weight of 265.31 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxy-3-methylpiperidine-1-carbonyl)-3,4-dimethyl-1H-pyridazin-6-one is sourced from PubChem (CID 114679803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).