3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one

C19H20N4O4 — CID 110814649

IUPAC3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(Cc1ccc2c(c1)CCO2)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C19H20N4O4/c24-17-4-2-15(20-21-17)19(26)23-8-6-22(7-9-23)18(25)12-13-1-3-16-14(11-13)5-10-27-16/h1-4,11H,5-10,12H2,(H,21,24)
InChIKeyZOOXOBXANHAVHL-UHFFFAOYSA-N
MW368.39 g/mol
LogP0.23
Rot. Bonds3

About 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110814649) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110814649
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(Cc1ccc2c(c1)CCO2)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C19H20N4O4/c24-17-4-2-15(20-21-17)19(26)23-8-6-22(7-9-23)18(25)12-13-1-3-16-14(11-13)5-10-27-16/h1-4,11H,5-10,12H2,(H,21,24)
InChIKeyZOOXOBXANHAVHL-UHFFFAOYSA-N
XLogP0.23
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110816888
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110815795
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806404
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801585
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 55586442
3-[4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110804369
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110815539
2-(3,4-dihydro-2H-chromen-6-yl)-1-[4-[2-(1H-pyrrol-3-yl)acetyl]piperazin-1-yl]ethanone
CID 110815910
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 56810771
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 110801124
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 56810760
1-[4-[2-(3,4-dihydro-2H-chromen-6-yl)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806382

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 110814649) is 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one is O=C(Cc1ccc2c(c1)CCO2)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is ZOOXOBXANHAVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-17-4-2-15(20-21-17)19(26)23-8-6-22(7-9-23)18(25)12-13-1-3-16-14(11-13)5-10-27-16/h1-4,11H,5-10,12H2,(H,21,24).
What are the key properties of 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 368.39 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110814649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).