2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one

C25H26N4O5 — CID 55824562

IUPAC2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Cn3nc(-c4ccccc4)ccc3=O)CC2)cc1OC
InChIInChI=1S/C25H26N4O5/c1-33-21-10-8-19(16-22(21)34-2)25(32)28-14-12-27(13-15-28)24(31)17-29-23(30)11-9-20(26-29)18-6-4-3-5-7-18/h3-11,16H,12-15,17H2,1-2H3
InChIKeyLHFHCLRPPSYFKE-UHFFFAOYSA-N
MW462.51 g/mol
LogP1.91
Rot. Bonds6

About 2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one

2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one (PubChem CID 55824562) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
PubChem CID55824562
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC Name2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)Cn3nc(-c4ccccc4)ccc3=O)CC2)cc1OC
InChIInChI=1S/C25H26N4O5/c1-33-21-10-8-19(16-22(21)34-2)25(32)28-14-12-27(13-15-28)24(31)17-29-23(30)11-9-20(26-29)18-6-4-3-5-7-18/h3-11,16H,12-15,17H2,1-2H3
InChIKeyLHFHCLRPPSYFKE-UHFFFAOYSA-N
XLogP1.91
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 55828960
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
6-(3-methoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 52902771
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
(3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 34484289
6-(4-fluorophenyl)-2-[2-oxo-2-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 90516792
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121050134
2-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 51100618
2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 70751844
N-butan-2-yl-2-[4-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55830035

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one (CID 55824562) is 2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one is COc1ccc(C(=O)N2CCN(C(=O)Cn3nc(-c4ccccc4)ccc3=O)CC2)cc1OC.
What is the InChIKey of 2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one?
The InChIKey is LHFHCLRPPSYFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-33-21-10-8-19(16-22(21)34-2)25(32)28-14-12-27(13-15-28)24(31)17-29-23(30)11-9-20(26-29)18-6-4-3-5-7-18/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one?
2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one has a molecular weight of 462.51 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 55824562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).