2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

C23H22Cl2N4O3 — CID 55762183

IUPAC2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C23H22Cl2N4O3/c24-18-12-17(13-19(25)14-18)22(31)27-8-10-28(11-9-27)23(32)20-6-7-21(30)29(26-20)15-16-4-2-1-3-5-16/h1-5,12-14H,6-11,15H2
InChIKeyLMRZEPYFISLGTL-UHFFFAOYSA-N
MW473.36 g/mol
LogP3.46
Rot. Bonds4

About 2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 55762183) has the molecular formula C23H22Cl2N4O3 and a molecular weight of 473.36 g/mol. Its IUPAC name is 2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID55762183
Molecular FormulaC23H22Cl2N4O3
Molecular Weight473.36 g/mol
Exact Mass472.11
IUPAC Name2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESO=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C23H22Cl2N4O3/c24-18-12-17(13-19(25)14-18)22(31)27-8-10-28(11-9-27)23(32)20-6-7-21(30)29(26-20)15-16-4-2-1-3-5-16/h1-5,12-14H,6-11,15H2
InChIKeyLMRZEPYFISLGTL-UHFFFAOYSA-N
XLogP3.46
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzoyl-1,4-diazepane-1-carbonyl)-2-benzyl-4,5-dihydropyridazin-3-one
CID 78880374
6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 55557861
2-benzyl-6-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 51952657
1-[[4-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 55555950
2-benzyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 55982737
1-[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251298
3-[[4-(3,5-dichlorobenzoyl)piperazin-1-yl]methyl]benzoic acid
CID 122028664
2-[(4-fluorophenyl)methyl]-6-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 112834252
1-[(3,4-difluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 82918485
6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3978494
6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one
CID 51117581
1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide
CID 78879861

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 55762183) is 2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is O=C(C1=NN(Cc2ccccc2)C(=O)CC1)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is LMRZEPYFISLGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3/c24-18-12-17(13-19(25)14-18)22(31)27-8-10-28(11-9-27)23(32)20-6-7-21(30)29(26-20)15-16-4-2-1-3-5-16/h1-5,12-14H,6-11,15H2.
What are the key properties of 2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 473.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 55762183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).