[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate

C18H19N3O5S — CID 2348009

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
SMILESCSc1ncccc1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19N3O5S/c1-27-16-13(4-2-6-19-16)18(24)26-12-15(22)20-7-9-21(10-8-20)17(23)14-5-3-11-25-14/h2-6,11H,7-10,12H2,1H3
InChIKeyQKLZLHXCEUKLGS-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.54
Rot. Bonds5

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate (PubChem CID 2348009) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
PubChem CID2348009
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
SMILESCSc1ncccc1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19N3O5S/c1-27-16-13(4-2-6-19-16)18(24)26-12-15(22)20-7-9-21(10-8-20)17(23)14-5-3-11-25-14/h2-6,11H,7-10,12H2,1H3
InChIKeyQKLZLHXCEUKLGS-UHFFFAOYSA-N
XLogP1.54
TPSA92.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765128
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 9343773
[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8520246
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2391518
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519893
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737584
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate
CID 16513127
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 2355144
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 34469189
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2336332
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2360096

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate (CID 2348009) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is CSc1ncccc1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
The InChIKey is QKLZLHXCEUKLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5S/c1-27-16-13(4-2-6-19-16)18(24)26-12-15(22)20-7-9-21(10-8-20)17(23)14-5-3-11-25-14/h2-6,11H,7-10,12H2,1H3.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate is sourced from PubChem (CID 2348009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).