6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one

C22H22N4O2 — CID 53081832

IUPAC6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCc1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c1-17-7-9-18(10-8-17)22(28)25-15-13-24(14-16-25)20-11-12-21(27)26(23-20)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3
InChIKeyTVEOWYFTFANLFU-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.50
Rot. Bonds3

About 6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one

6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 53081832) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID53081832
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCc1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c1-17-7-9-18(10-8-17)22(28)25-15-13-24(14-16-25)20-11-12-21(27)26(23-20)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3
InChIKeyTVEOWYFTFANLFU-UHFFFAOYSA-N
XLogP2.50
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081831
6-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpyridazin-3-one
CID 53081404
6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one
CID 53081727
6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 53081376
6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081825
2-(4-methylphenyl)-6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081466
2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one
CID 53081858
6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081939
1-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxylic acid
CID 53214226
6-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081418
2-(3,4-dimethylphenyl)-6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081364
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one (CID 53081832) is 6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one is Cc1ccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is TVEOWYFTFANLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-17-7-9-18(10-8-17)22(28)25-15-13-24(14-16-25)20-11-12-21(27)26(23-20)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3.
What are the key properties of 6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 374.44 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 53081832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).