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

C21H28N4O2 — CID 113044889

IUPACtert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C21H28N4O2/c1-21(2,3)27-20(26)22-18-9-10-19(24-23-18)25-13-11-17(12-14-25)15-16-7-5-4-6-8-16/h4-10,17H,11-15H2,1-3H3,(H,22,23,26)
InChIKeyGHPHUZMGQJJJTB-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.28
Rot. Bonds4

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

tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate (PubChem CID 113044889) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
PubChem CID113044889
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Nametert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C21H28N4O2/c1-21(2,3)27-20(26)22-18-9-10-19(24-23-18)25-13-11-17(12-14-25)15-16-7-5-4-6-8-16/h4-10,17H,11-15H2,1-3H3,(H,22,23,26)
InChIKeyGHPHUZMGQJJJTB-UHFFFAOYSA-N
XLogP4.28
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate 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 N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate
CID 113044887
tert-butyl N-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043075
N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]-2-methylpropanamide
CID 113044874
tert-butyl N-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]carbamate
CID 113043128
tert-butyl N-[4-[[2-(4-benzylpiperidin-1-yl)-2-oxoacetyl]amino]phenyl]carbamate
CID 69100254
6-(4-benzylpiperidin-1-yl)-N-pyridin-2-ylpyridazine-3-carboxamide
CID 121028359
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
tert-butyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 14281310
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
6-(4-benzylpiperidin-1-yl)-N-naphthalen-1-ylpyridazine-3-carboxamide
CID 121028392
3-(4-benzylpiperidin-1-yl)-6-(chloromethyl)pyridazine
CID 61255755

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate (CID 113044889) is tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate is CC(C)(C)OC(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate?
The InChIKey is GHPHUZMGQJJJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-21(2,3)27-20(26)22-18-9-10-19(24-23-18)25-13-11-17(12-14-25)15-16-7-5-4-6-8-16/h4-10,17H,11-15H2,1-3H3,(H,22,23,26).
What are the key properties of tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate?
tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate has a molecular weight of 368.48 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(4-benzylpiperidin-1-yl)pyridazin-3-yl]carbamate is sourced from PubChem (CID 113044889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).