[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate

C19H20N2O6S — CID 8522085

IUPAC[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c(O)c1
InChIInChI=1S/C19H20N2O6S/c1-26-13-4-5-14(15(22)11-13)19(25)27-12-17(23)20-6-8-21(9-7-20)18(24)16-3-2-10-28-16/h2-5,10-11,22H,6-9,12H2,1H3
InChIKeyHGNGWTBYKOYKNU-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.60
Rot. Bonds5

About [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate

[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate (PubChem CID 8522085) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate
PubChem CID8522085
Molecular FormulaC19H20N2O6S
Molecular Weight404.44 g/mol
Exact Mass404.10
IUPAC Name[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c(O)c1
InChIInChI=1S/C19H20N2O6S/c1-26-13-4-5-14(15(22)11-13)19(25)27-12-17(23)20-6-8-21(9-7-20)18(24)16-3-2-10-28-16/h2-5,10-11,22H,6-9,12H2,1H3
InChIKeyHGNGWTBYKOYKNU-UHFFFAOYSA-N
XLogP1.60
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate with MolForge

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Related Compounds

[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-hydroxy-4-methoxybenzoate
CID 18157810
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8520246
(4-methoxyphenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 717242
(2-hydroxy-4-methoxyphenyl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78801480
(2-oxo-2-thiophen-2-ylethyl) 2-hydroxy-5-methoxybenzoate
CID 7442140
2-(3-methoxyphenyl)-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798155
(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-5-methoxybenzoate
CID 7442206
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 3-amino-4-chlorobenzoate
CID 8509538
4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzamide
CID 8608210
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 38125181
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 8676266
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-(2-methylphenoxy)acetate
CID 40692284

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate?
The IUPAC name of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate (CID 8522085) is [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)c(O)c1.
What is the InChIKey of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate?
The InChIKey is HGNGWTBYKOYKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-26-13-4-5-14(15(22)11-13)19(25)27-12-17(23)20-6-8-21(9-7-20)18(24)16-3-2-10-28-16/h2-5,10-11,22H,6-9,12H2,1H3.
What are the key properties of [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate?
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate has a molecular weight of 404.44 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 8522085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).