6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one

C20H33N3O — CID 126862329

IUPAC6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C20H33N3O/c1-20(2,3)18-9-10-19(24)23(21-18)15-16-11-13-22(14-12-16)17-7-5-4-6-8-17/h9-10,16-17H,4-8,11-15H2,1-3H3
InChIKeyYOBXCPLSQGUTDV-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.59
Rot. Bonds3

About 6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one

6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one (PubChem CID 126862329) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one
PubChem CID126862329
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(C3CCCCC3)CC2)n1
InChIInChI=1S/C20H33N3O/c1-20(2,3)18-9-10-19(24)23(21-18)15-16-11-13-22(14-12-16)17-7-5-4-6-8-17/h9-10,16-17H,4-8,11-15H2,1-3H3
InChIKeyYOBXCPLSQGUTDV-UHFFFAOYSA-N
XLogP3.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one (CID 126862329) is 6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCN(C3CCCCC3)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one?
The InChIKey is YOBXCPLSQGUTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-20(2,3)18-9-10-19(24)23(21-18)15-16-11-13-22(14-12-16)17-7-5-4-6-8-17/h9-10,16-17H,4-8,11-15H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one?
6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one has a molecular weight of 331.50 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126862329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).