6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one

C23H26N4O2 — CID 3978494

IUPAC6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1cccc(N2N=C(C(=O)N3CCN(Cc4ccccc4)CC3)CCC2=O)c1
InChIInChI=1S/C23H26N4O2/c1-18-6-5-9-20(16-18)27-22(28)11-10-21(24-27)23(29)26-14-12-25(13-15-26)17-19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3
InChIKeyBQPLJPVBFBVNRJ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.82
Rot. Bonds4

About 6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one

6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 3978494) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
PubChem CID3978494
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1cccc(N2N=C(C(=O)N3CCN(Cc4ccccc4)CC3)CCC2=O)c1
InChIInChI=1S/C23H26N4O2/c1-18-6-5-9-20(16-18)27-22(28)11-10-21(24-27)23(29)26-14-12-25(13-15-26)17-19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3
InChIKeyBQPLJPVBFBVNRJ-UHFFFAOYSA-N
XLogP2.82
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-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

Related Compounds

6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3292486
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 945249
6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3639597
6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one
CID 5135424
6-[4-(4-bromophenyl)sulfonylpiperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3922310
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3662289
2-phenyl-6-(thiomorpholine-4-carbonyl)-4,5-dihydropyridazin-3-one
CID 53499713
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 34405473
1-[[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 32759097
3-(4-benzylpiperazine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110757174
6-(4-benzylpiperazine-1-carbonyl)-2-(1,1-dioxothiolan-3-yl)-4,5-dihydropyridazin-3-one
CID 42906130
4-hydroxy-1-(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)piperidine-4-carboxylic acid
CID 119250734

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one (CID 3978494) is 6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one is Cc1cccc(N2N=C(C(=O)N3CCN(Cc4ccccc4)CC3)CCC2=O)c1.
What is the InChIKey of 6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is BQPLJPVBFBVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-18-6-5-9-20(16-18)27-22(28)11-10-21(24-27)23(29)26-14-12-25(13-15-26)17-19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3.
What are the key properties of 6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one?
6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 390.49 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 3978494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).