(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone

C23H30N4O — CID 121118392

IUPAC(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
SMILESCc1ccc(N2CCCC(C(=O)N3CCC(Cc4ccccc4)CC3)C2)nn1
InChIInChI=1S/C23H30N4O/c1-18-9-10-22(25-24-18)27-13-5-8-21(17-27)23(28)26-14-11-20(12-15-26)16-19-6-3-2-4-7-19/h2-4,6-7,9-10,20-21H,5,8,11-17H2,1H3
InChIKeyMURXMPADYXMYHY-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.48
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone

(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone (PubChem CID 121118392) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
PubChem CID121118392
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
SMILESCc1ccc(N2CCCC(C(=O)N3CCC(Cc4ccccc4)CC3)C2)nn1
InChIInChI=1S/C23H30N4O/c1-18-9-10-22(25-24-18)27-13-5-8-21(17-27)23(28)26-14-11-20(12-15-26)16-19-6-3-2-4-7-19/h2-4,6-7,9-10,20-21H,5,8,11-17H2,1H3
InChIKeyMURXMPADYXMYHY-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-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)-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90514534
(4-hydroxypiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118558
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118403
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 121118686
ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 121118394
methyl 1-(6-methylpyridazin-3-yl)piperidine-3-carboxylate
CID 116972483
(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 121118531
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118732
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone (CID 121118392) is (4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone is Cc1ccc(N2CCCC(C(=O)N3CCC(Cc4ccccc4)CC3)C2)nn1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone?
The InChIKey is MURXMPADYXMYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-18-9-10-22(25-24-18)27-13-5-8-21(17-27)23(28)26-14-11-20(12-15-26)16-19-6-3-2-4-7-19/h2-4,6-7,9-10,20-21H,5,8,11-17H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone?
(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone has a molecular weight of 378.52 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 121118392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).