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

C14H19N3O4 — CID 43431338

IUPACmethyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2c(C)c(C)n[nH]c2=O)CC1
InChIInChI=1S/C14H19N3O4/c1-8-9(2)15-16-12(18)11(8)13(19)17-6-4-10(5-7-17)14(20)21-3/h10H,4-7H2,1-3H3,(H,16,18)
InChIKeyPKZIWUPQZXAXIE-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.41
Rot. Bonds2

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

methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate (PubChem CID 43431338) 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-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate
PubChem CID43431338
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2c(C)c(C)n[nH]c2=O)CC1
InChIInChI=1S/C14H19N3O4/c1-8-9(2)15-16-12(18)11(8)13(19)17-6-4-10(5-7-17)14(20)21-3/h10H,4-7H2,1-3H3,(H,16,18)
InChIKeyPKZIWUPQZXAXIE-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate (CID 43431338) is methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2c(C)c(C)n[nH]c2=O)CC1.
What is the InChIKey of methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is PKZIWUPQZXAXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-9(2)15-16-12(18)11(8)13(19)17-6-4-10(5-7-17)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-4-carboxylate?
methyl 1-(3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.41, 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-4-carboxylate is sourced from PubChem (CID 43431338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).