6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one

C23H23N3O3 — CID 24682928

IUPAC6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C(c1ccccc1)C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1
InChIInChI=1S/C23H23N3O3/c27-21-12-11-20(24-26(21)19-9-5-2-6-10-19)23(29)25-15-13-18(14-16-25)22(28)17-7-3-1-4-8-17/h1-10,18H,11-16H2
InChIKeyOVUWJYZAJQMCEP-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.29
Rot. Bonds4

About 6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one

6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 24682928) has the molecular formula C23H23N3O3 and a molecular weight of 389.45 g/mol. Its IUPAC name is 6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
PubChem CID24682928
Molecular FormulaC23H23N3O3
Molecular Weight389.45 g/mol
Exact Mass389.17
IUPAC Name6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
SMILESO=C(c1ccccc1)C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1
InChIInChI=1S/C23H23N3O3/c27-21-12-11-20(24-26(21)19-9-5-2-6-10-19)23(29)25-15-13-18(14-16-25)22(28)17-7-3-1-4-8-17/h1-10,18H,11-16H2
InChIKeyOVUWJYZAJQMCEP-UHFFFAOYSA-N
XLogP3.29
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one (CID 24682928) is 6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one is O=C(c1ccccc1)C1CCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)CC1.
What is the InChIKey of 6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is OVUWJYZAJQMCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21-12-11-20(24-26(21)19-9-5-2-6-10-19)23(29)25-15-13-18(14-16-25)22(28)17-7-3-1-4-8-17/h1-10,18H,11-16H2.
What are the key properties of 6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one?
6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 389.45 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzoylpiperidine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 24682928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).