methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate

C14H19N3O4 — CID 115535693

IUPACmethyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1c(C)c(C)n[nH]c1=O
InChIInChI=1S/C14H19N3O4/c1-8-9(2)15-16-12(18)11(8)13(19)17-7-5-4-6-10(17)14(20)21-3/h10H,4-7H2,1-3H3,(H,16,18)
InChIKeyGNNRBXZLPFWPGR-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.55
Rot. Bonds2

About methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate

methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate (PubChem CID 115535693) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate
PubChem CID115535693
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1c(C)c(C)n[nH]c1=O
InChIInChI=1S/C14H19N3O4/c1-8-9(2)15-16-12(18)11(8)13(19)17-7-5-4-6-10(17)14(20)21-3/h10H,4-7H2,1-3H3,(H,16,18)
InChIKeyGNNRBXZLPFWPGR-UHFFFAOYSA-N
XLogP0.55
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate 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

methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)pyrrolidine-2-carboxylate
CID 43623810
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate
CID 43431338
methyl 1-(1,3,5-trimethylpyrazole-4-carbonyl)piperidine-2-carboxylate
CID 115535701
methyl 1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylate
CID 115280024
methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 115280207
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683
1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741888
5-[(3aR,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 99818989
methyl (2R)-1-(4-methyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylate
CID 79833950
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
methyl 1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylate
CID 43623812

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate (CID 115535693) is methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1c(C)c(C)n[nH]c1=O.
What is the InChIKey of methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate?
The InChIKey is GNNRBXZLPFWPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-9(2)15-16-12(18)11(8)13(19)17-7-5-4-6-10(17)14(20)21-3/h10H,4-7H2,1-3H3,(H,16,18).
What are the key properties of methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate?
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 115535693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).