methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate

C18H22N4O2 — CID 113044887

IUPACmethyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C18H22N4O2/c1-24-18(23)19-16-7-8-17(21-20-16)22-11-9-15(10-12-22)13-14-5-3-2-4-6-14/h2-8,15H,9-13H2,1H3,(H,19,20,23)
InChIKeyZZXLMKRWAZODQY-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.11
Rot. Bonds4

About methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate

methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate (PubChem CID 113044887) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
PubChem CID113044887
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Namemethyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
SMILESCOC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C18H22N4O2/c1-24-18(23)19-16-7-8-17(21-20-16)22-11-9-15(10-12-22)13-14-5-3-2-4-6-14/h2-8,15H,9-13H2,1H3,(H,19,20,23)
InChIKeyZZXLMKRWAZODQY-UHFFFAOYSA-N
XLogP3.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044889
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874
6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 121028359
tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043075
6-(4-benzylpiperidin-1-yl)-N-pyrimidin-2-ylpyridazine-3-carboxamide
CID 121028453
6-(4-benzylpiperidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyridazine-3-carboxamide
CID 71778645
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide
CID 121028392
tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043128
3-(4-benzylpiperidin-1-yl)-6-(chloromethyl)pyridazine
CID 61255755
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate?
The IUPAC name of methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate (CID 113044887) is methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate.
What is the SMILES notation for methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate?
The canonical SMILES for methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate is COC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate?
The InChIKey is ZZXLMKRWAZODQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-18(23)19-16-7-8-17(21-20-16)22-11-9-15(10-12-22)13-14-5-3-2-4-6-14/h2-8,15H,9-13H2,1H3,(H,19,20,23).
What are the key properties of methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate?
methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate has a molecular weight of 326.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113044887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).