3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one

C18H20N4O5 — CID 110814587

IUPAC3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c(OC)c1
InChIInChI=1S/C18H20N4O5/c1-26-12-3-4-13(15(11-12)27-2)17(24)21-7-9-22(10-8-21)18(25)14-5-6-16(23)20-19-14/h3-6,11H,7-10H2,1-2H3,(H,20,23)
InChIKeyBBYIBKGMDMFXOX-UHFFFAOYSA-N
MW372.38 g/mol
LogP0.39
Rot. Bonds4

About 3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110814587) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110814587
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c(OC)c1
InChIInChI=1S/C18H20N4O5/c1-26-12-3-4-13(15(11-12)27-2)17(24)21-7-9-22(10-8-21)18(25)14-5-6-16(23)20-19-14/h3-6,11H,7-10H2,1-2H3,(H,20,23)
InChIKeyBBYIBKGMDMFXOX-UHFFFAOYSA-N
XLogP0.39
TPSA104.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 110816337
3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 32823096
3-[4-(2,6-dimethoxybenzoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 108544538
3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 2031185
3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110804369
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869
(2,4-dimethoxyphenyl)-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816009
(2,4-dimethoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228487
(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
CID 94636730
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 110814587) is 3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one is COc1ccc(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c(OC)c1.
What is the InChIKey of 3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is BBYIBKGMDMFXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-26-12-3-4-13(15(11-12)27-2)17(24)21-7-9-22(10-8-21)18(25)14-5-6-16(23)20-19-14/h3-6,11H,7-10H2,1-2H3,(H,20,23).
What are the key properties of 3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 372.38 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110814587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).