methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate

C18H19N3O4 — CID 71799339

IUPACmethyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(Oc3cccnn3)CC2)cc1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)14-6-4-13(5-7-14)17(22)21-11-8-15(9-12-21)25-16-3-2-10-19-20-16/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyYNISYCBVKPIDQL-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.95
Rot. Bonds4

About methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate

methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate (PubChem CID 71799339) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate
PubChem CID71799339
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(Oc3cccnn3)CC2)cc1
InChIInChI=1S/C18H19N3O4/c1-24-18(23)14-6-4-13(5-7-14)17(22)21-11-8-15(9-12-21)25-16-3-2-10-19-20-16/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyYNISYCBVKPIDQL-UHFFFAOYSA-N
XLogP1.95
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate 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 4-(4-{[5-(trifluoromethyl)pyridin-2-YL]oxy}piperidine-1-carbonyl)benzoate
CID 71798711
(2-Fluorophenyl)(4-(pyridazin-3-yloxy)piperidin-1-yl)methanone
CID 71799348
(4-(Pyridazin-3-yloxy)piperidin-1-yl)(4-(trifluoromethoxy)phenyl)methanone
CID 71799384
Methyl 4-{[4-(pyridazin-3-yloxy)piperidin-1-yl]sulfonyl}benzoate
CID 71799416
(4-((6-Methylpyridazin-3-yl)oxy)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 71799418
m-{[(S)-3-(3-pyridazinyloxy)-1-piperidyl]carbonyl}benzonitrile
CID 100639377
[4-(6-Methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone
CID 134801526
Methyl 4-{4-[(3-cyanopyridin-2-YL)oxy]piperidine-1-carbonyl}benzoate
CID 71798987
1-Phenyl-4-(4-(pyridazin-3-yloxy)piperidin-1-yl)butane-1,4-dione
CID 71799324
N-{4-[4-(Pyridazin-3-yloxy)piperidine-1-carbonyl]phenyl}acetamide
CID 71799336
(2-Benzoylphenyl)(4-(pyridazin-3-yloxy)piperidin-1-yl)methanone
CID 71799337
(3,4-Dimethoxyphenyl)(4-(pyridazin-3-yloxy)piperidin-1-yl)methanone
CID 71799347

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate?
The IUPAC name of methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate (CID 71799339) is methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate.
What is the SMILES notation for methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate?
The canonical SMILES for methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate is COC(=O)c1ccc(C(=O)N2CCC(Oc3cccnn3)CC2)cc1.
What is the InChIKey of methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate?
The InChIKey is YNISYCBVKPIDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-24-18(23)14-6-4-13(5-7-14)17(22)21-11-8-15(9-12-21)25-16-3-2-10-19-20-16/h2-7,10,15H,8-9,11-12H2,1H3.
What are the key properties of methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate?
methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate has a molecular weight of 341.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-pyridazin-3-yloxypiperidine-1-carbonyl)benzoate is sourced from PubChem (CID 71799339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).