ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate

C14H19N3O4 — CID 108773397

IUPACethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCC(C(=O)OC)CC2)nn1
InChIInChI=1S/C14H19N3O4/c1-3-21-14(19)11-4-5-12(16-15-11)17-8-6-10(7-9-17)13(18)20-2/h4-5,10H,3,6-9H2,1-2H3
InChIKeyCRLREPSBBMIDLN-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.04
Rot. Bonds4

About ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate

ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate (PubChem CID 108773397) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate
PubChem CID108773397
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCC(C(=O)OC)CC2)nn1
InChIInChI=1S/C14H19N3O4/c1-3-21-14(19)11-4-5-12(16-15-11)17-8-6-10(7-9-17)13(18)20-2/h4-5,10H,3,6-9H2,1-2H3
InChIKeyCRLREPSBBMIDLN-UHFFFAOYSA-N
XLogP1.04
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
ethyl 6-(2-ethylpiperidin-1-yl)pyridazine-3-carboxylate
CID 121206169
ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129495548
ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129498668
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
ethyl 2-[[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 30361202
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
CID 133278361
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031
ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
CID 121118763

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate (CID 108773397) is ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate is CCOC(=O)c1ccc(N2CCC(C(=O)OC)CC2)nn1.
What is the InChIKey of ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate?
The InChIKey is CRLREPSBBMIDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-3-21-14(19)11-4-5-12(16-15-11)17-8-6-10(7-9-17)13(18)20-2/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate?
ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 108773397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).