[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

C26H25N3O5 — CID 23773676

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
SMILESCC1CC(C)CN(C(=O)COC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1
InChIInChI=1S/C26H25N3O5/c1-16-11-17(2)14-29(13-16)23(30)15-34-26(31)18-7-8-19-20(12-18)28-25(22-6-4-10-33-22)24(27-19)21-5-3-9-32-21/h3-10,12,16-17H,11,13-15H2,1-2H3
InChIKeyYJLYZWPCIWBIEI-UHFFFAOYSA-N
MW459.50 g/mol
LogP4.81
Rot. Bonds5

About [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (PubChem CID 23773676) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
PubChem CID23773676
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
SMILESCC1CC(C)CN(C(=O)COC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1
InChIInChI=1S/C26H25N3O5/c1-16-11-17(2)14-29(13-16)23(30)15-34-26(31)18-7-8-19-20(12-18)28-25(22-6-4-10-33-22)24(27-19)21-5-3-9-32-21/h3-10,12,16-17H,11,13-15H2,1-2H3
InChIKeyYJLYZWPCIWBIEI-UHFFFAOYSA-N
XLogP4.81
TPSA98.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate with MolForge

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Related Compounds

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23802826
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-aminobenzoate
CID 7781195
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2429703
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592108
[2-(2-methoxyanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23915622
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23915588
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(carbamoylamino)benzoate
CID 8804135
[2-(naphthalen-1-ylamino)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23887588
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-methylphenyl)benzoate
CID 23739221
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204672
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2430465
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate
CID 23744507

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate (CID 23773676) is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is CC1CC(C)CN(C(=O)COC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
The InChIKey is YJLYZWPCIWBIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-16-11-17(2)14-29(13-16)23(30)15-34-26(31)18-7-8-19-20(12-18)28-25(22-6-4-10-33-22)24(27-19)21-5-3-9-32-21/h3-10,12,16-17H,11,13-15H2,1-2H3.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate?
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate has a molecular weight of 459.50 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 2,3-bis(furan-2-yl)quinoxaline-6-carboxylate is sourced from PubChem (CID 23773676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).