6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one

C23H27N4O2+ — CID 2013733

IUPAC6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
SMILESCc1ccc(N2NC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)=CCC2=O)cc1
InChIInChI=1S/C23H26N4O2/c1-18-7-9-20(10-8-18)27-22(28)12-11-21(24-27)23(29)26-15-13-25(14-16-26)17-19-5-3-2-4-6-19/h2-11,24H,12-17H2,1H3/p+1
InChIKeyAMPUEKVJXLRNSK-UHFFFAOYSA-O
MW391.50 g/mol
LogP1.05
Rot. Bonds4

About 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one

6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one (PubChem CID 2013733) has the molecular formula C23H27N4O2+ and a molecular weight of 391.50 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
PubChem CID2013733
Molecular FormulaC23H27N4O2+
Molecular Weight391.50 g/mol
Exact Mass391.21
IUPAC Name6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one
SMILESCc1ccc(N2NC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)=CCC2=O)cc1
InChIInChI=1S/C23H26N4O2/c1-18-7-9-20(10-8-18)27-22(28)12-11-21(24-27)23(29)26-15-13-25(14-16-26)17-19-5-3-2-4-6-19/h2-11,24H,12-17H2,1H3/p+1
InChIKeyAMPUEKVJXLRNSK-UHFFFAOYSA-O
XLogP1.05
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one with MolForge

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Related Compounds

2-(3-methylphenyl)-6-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2007460
6-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2022842
6-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2002838
6-(4-cyclopentylpiperazin-4-ium-1-carbonyl)-2-phenyl-1,4-dihydropyridazin-3-one
CID 2002922
N-[2-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]-4-methylbenzamide
CID 4048530
(4-benzylpiperazin-4-ium-1-yl)-phenylmethanone chloride
CID 18530111
2-(4-chlorophenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,4-dihydropyridazin-3-one
CID 2018085
(4-benzylpiperazin-4-ium-1-yl)-(2-methoxy-5-methylphenyl)methanone
CID 9041611
1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
CID 7964634
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2008524
(4-benzylpiperazin-4-ium-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 9041784
N-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-methylbenzamide
CID 6985411

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one?
The IUPAC name of 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one (CID 2013733) is 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one is Cc1ccc(N2NC(C(=O)N3CC[NH+](Cc4ccccc4)CC3)=CCC2=O)cc1.
What is the InChIKey of 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one?
The InChIKey is AMPUEKVJXLRNSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H26N4O2/c1-18-7-9-20(10-8-18)27-22(28)12-11-21(24-27)23(29)26-15-13-25(14-16-26)17-19-5-3-2-4-6-19/h2-11,24H,12-17H2,1H3/p+1.
What are the key properties of 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one?
6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one has a molecular weight of 391.50 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2-(4-methylphenyl)-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 2013733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).