(4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone

C22H31N5O — CID 109115841

IUPAC(4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone
SMILESCN(C)CCCNc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C22H31N5O/c1-26(2)14-6-13-23-21-10-9-20(24-25-21)22(28)27-15-11-19(12-16-27)17-18-7-4-3-5-8-18/h3-5,7-10,19H,6,11-17H2,1-2H3,(H,23,25)
InChIKeyUOYMDXJSFFSUIG-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.94
Rot. Bonds8

About (4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone

(4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone (PubChem CID 109115841) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone
PubChem CID109115841
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name(4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone
SMILESCN(C)CCCNc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C22H31N5O/c1-26(2)14-6-13-23-21-10-9-20(24-25-21)22(28)27-15-11-19(12-16-27)17-18-7-4-3-5-8-18/h3-5,7-10,19H,6,11-17H2,1-2H3,(H,23,25)
InChIKeyUOYMDXJSFFSUIG-UHFFFAOYSA-N
XLogP2.94
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone 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

(4-benzylpiperidin-1-yl)-[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]methanone
CID 109253537
[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109115194
3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109125780
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109110625
(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518
(4-benzylpiperidin-1-yl)-[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]methanone
CID 109229333
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
(4-benzylpiperidin-1-yl)-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]methanone
CID 121114236
[5-[benzyl(methyl)amino]-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109189255
[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113327

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone (CID 109115841) is (4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone is CN(C)CCCNc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)nn1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone?
The InChIKey is UOYMDXJSFFSUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-26(2)14-6-13-23-21-10-9-20(24-25-21)22(28)27-15-11-19(12-16-27)17-18-7-4-3-5-8-18/h3-5,7-10,19H,6,11-17H2,1-2H3,(H,23,25).
What are the key properties of (4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone has a molecular weight of 381.52 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone is sourced from PubChem (CID 109115841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).