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

C22H22N4O2 — CID 53081831

IUPAC6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCc1cccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c1
InChIInChI=1S/C22H22N4O2/c1-17-6-5-7-18(16-17)22(28)25-14-12-24(13-15-25)20-10-11-21(27)26(23-20)19-8-3-2-4-9-19/h2-11,16H,12-15H2,1H3
InChIKeyQCTCNADYHKVJRL-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.50
Rot. Bonds3

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

6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 53081831) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID53081831
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCc1cccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c1
InChIInChI=1S/C22H22N4O2/c1-17-6-5-7-18(16-17)22(28)25-14-12-24(13-15-25)20-10-11-21(27)26(23-20)19-8-3-2-4-9-19/h2-11,16H,12-15H2,1H3
InChIKeyQCTCNADYHKVJRL-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-(4-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081832
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-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081736
6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 53081376
6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
CID 53081896
6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
CID 53081698
6-[4-[3-(dimethylamino)benzoyl]piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081733
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53081989
6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081825
4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26664762

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one (CID 53081831) is 6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one is Cc1cccc(C(=O)N2CCN(c3ccc(=O)n(-c4ccccc4)n3)CC2)c1.
What is the InChIKey of 6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is QCTCNADYHKVJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-17-6-5-7-18(16-17)22(28)25-14-12-24(13-15-25)20-10-11-21(27)26(23-20)19-8-3-2-4-9-19/h2-11,16H,12-15H2,1H3.
What are the key properties of 6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
6-[4-(3-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-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 53081831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).