methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate

C17H25N3O3 — CID 133278361

IUPACmethyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(OC3CCCCC3)CC2)nn1
InChIInChI=1S/C17H25N3O3/c1-22-17(21)15-7-8-16(19-18-15)20-11-9-14(10-12-20)23-13-5-3-2-4-6-13/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyIAQCZBSVDCHESL-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.58
Rot. Bonds4

About methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate

methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate (PubChem CID 133278361) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
PubChem CID133278361
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Namemethyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(OC3CCCCC3)CC2)nn1
InChIInChI=1S/C17H25N3O3/c1-22-17(21)15-7-8-16(19-18-15)20-11-9-14(10-12-20)23-13-5-3-2-4-6-13/h7-8,13-14H,2-6,9-12H2,1H3
InChIKeyIAQCZBSVDCHESL-UHFFFAOYSA-N
XLogP2.58
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate
CID 75415769
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
methyl 6-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]pyridazine-3-carboxylate
CID 100899631
methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate
CID 75374215
methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133397967
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
methyl 6-[(3S)-3-anilinopyrrolidin-1-yl]pyridazine-3-carboxylate
CID 96524339
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824
ethyl 6-(4-methoxycarbonylpiperidin-1-yl)pyridazine-3-carboxylate
CID 108773397

Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate (CID 133278361) is methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCC(OC3CCCCC3)CC2)nn1.
What is the InChIKey of methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate?
The InChIKey is IAQCZBSVDCHESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-22-17(21)15-7-8-16(19-18-15)20-11-9-14(10-12-20)23-13-5-3-2-4-6-13/h7-8,13-14H,2-6,9-12H2,1H3.
What are the key properties of methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate?
methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 133278361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).