3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one

C18H20N4O4 — CID 110804369

IUPAC3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c1
InChIInChI=1S/C18H20N4O4/c1-26-14-4-2-3-13(11-14)12-17(24)21-7-9-22(10-8-21)18(25)15-5-6-16(23)20-19-15/h2-6,11H,7-10,12H2,1H3,(H,20,23)
InChIKeyXTKDKQLDFSVQJQ-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.31
Rot. Bonds4

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

3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110804369) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110804369
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c1
InChIInChI=1S/C18H20N4O4/c1-26-14-4-2-3-13(11-14)12-17(24)21-7-9-22(10-8-21)18(25)15-5-6-16(23)20-19-15/h2-6,11H,7-10,12H2,1H3,(H,20,23)
InChIKeyXTKDKQLDFSVQJQ-UHFFFAOYSA-N
XLogP0.31
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182748
3-[4-[2-(3-methylphenoxy)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110804402
3-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 32823096
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38388248
2-(3-methoxyphenyl)-1-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]ethanone
CID 53087750
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 55851491
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
2-(3-methoxyphenyl)-1-[4-(4-propan-2-ylsulfanylbenzoyl)piperazin-1-yl]ethanone
CID 48868003
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(3-methoxyphenyl)-1-[4-(3-methylbenzoyl)piperazin-1-yl]ethanone
CID 48868393
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 51093616

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 110804369) is 3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one is COc1cccc(CC(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)c1.
What is the InChIKey of 3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is XTKDKQLDFSVQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-26-14-4-2-3-13(11-14)12-17(24)21-7-9-22(10-8-21)18(25)15-5-6-16(23)20-19-15/h2-6,11H,7-10,12H2,1H3,(H,20,23).
What are the key properties of 3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 356.38 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110804369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).