3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one

C22H22N4O2 — CID 2022751

IUPAC3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H22N4O2/c27-20-12-11-19(23-24-20)22(28)26-15-13-25(14-16-26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2,(H,24,27)
InChIKeyVXURMWVQFXOSAI-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.32
Rot. Bonds4

About 3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one

3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 2022751) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID2022751
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C22H22N4O2/c27-20-12-11-19(23-24-20)22(28)26-15-13-25(14-16-26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2,(H,24,27)
InChIKeyVXURMWVQFXOSAI-UHFFFAOYSA-N
XLogP2.32
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 8929352
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163
3-(4-benzylsulfonylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 9070811
3-[4-(2,2,2-trifluoroacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108533431
3-[4-(3-phenylpropanoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 110808340
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
3-[4-(2,6-dimethoxybenzoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 108544538
3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110745900
(4-benzhydrylpiperazin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 20953289
3-[4-(2-phenylethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35951602
2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 78980909

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one (CID 2022751) is 3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is VXURMWVQFXOSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-20-12-11-19(23-24-20)22(28)26-15-13-25(14-16-26)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,21H,13-16H2,(H,24,27).
What are the key properties of 3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one?
3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 374.44 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydrylpiperazine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 2022751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).