1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C23H26N4O4S — CID 60600096

IUPAC1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC(C(=O)NCCc4cccs4)CC3)ccc21
InChIInChI=1S/C23H26N4O4S/c1-2-27-19-6-5-16(14-18(19)25-21(29)23(27)31)22(30)26-11-8-15(9-12-26)20(28)24-10-7-17-4-3-13-32-17/h3-6,13-15H,2,7-12H2,1H3,(H,24,28)(H,25,29)
InChIKeyIKMYMUSUADRITC-UHFFFAOYSA-N
MW454.55 g/mol
LogP1.98
Rot. Bonds6

About 1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 60600096) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID60600096
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC(C(=O)NCCc4cccs4)CC3)ccc21
InChIInChI=1S/C23H26N4O4S/c1-2-27-19-6-5-16(14-18(19)25-21(29)23(27)31)22(30)26-11-8-15(9-12-26)20(28)24-10-7-17-4-3-13-32-17/h3-6,13-15H,2,7-12H2,1H3,(H,24,28)(H,25,29)
InChIKeyIKMYMUSUADRITC-UHFFFAOYSA-N
XLogP1.98
TPSA104.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(2-aminoethyl)-1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 119481479
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
7-[4-(aminomethyl)piperidine-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione;hydrochloride
CID 119423703
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032
1-[2-(9-oxoacridin-10-yl)acetyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60599884
4-(2-thiophen-2-ylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784485
1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119308566
1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
1-(2-hydroxy-2-methylpropyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 110932610
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
4-ethyl-7-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbonyl]-1H-quinoxaline-2,3-dione
CID 38072730

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 60600096) is 1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC(C(=O)NCCc4cccs4)CC3)ccc21.
What is the InChIKey of 1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is IKMYMUSUADRITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-2-27-19-6-5-16(14-18(19)25-21(29)23(27)31)22(30)26-11-8-15(9-12-26)20(28)24-10-7-17-4-3-13-32-17/h3-6,13-15H,2,7-12H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 60600096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).