3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one

C18H20N4O5 — CID 32823096

IUPAC3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c1
InChIInChI=1S/C18H20N4O5/c1-26-13-9-12(10-14(11-13)27-2)17(24)21-5-7-22(8-6-21)18(25)15-3-4-16(23)20-19-15/h3-4,9-11H,5-8H2,1-2H3,(H,20,23)
InChIKeyHMZKUOGKFXXSOI-UHFFFAOYSA-N
MW372.38 g/mol
LogP0.39
Rot. Bonds4

About 3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 32823096) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID32823096
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c1
InChIInChI=1S/C18H20N4O5/c1-26-13-9-12(10-14(11-13)27-2)17(24)21-5-7-22(8-6-21)18(25)15-3-4-16(23)20-19-15/h3-4,9-11H,5-8H2,1-2H3,(H,20,23)
InChIKeyHMZKUOGKFXXSOI-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-(2,4-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110814587
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019
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
3-[4-(2,6-dimethoxybenzoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 108544538
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
3-[4-(2-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 110816337
3-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 110816351
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108554976
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163
ethyl 4-(6-oxo-1H-pyridazine-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808932
3-[4-(2,2,2-trifluoroacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 108533431

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 32823096) is 3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one is COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c1.
What is the InChIKey of 3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is HMZKUOGKFXXSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-26-13-9-12(10-14(11-13)27-2)17(24)21-5-7-22(8-6-21)18(25)15-3-4-16(23)20-19-15/h3-4,9-11H,5-8H2,1-2H3,(H,20,23).
What are the key properties of 3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-(3,5-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-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 32823096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).