2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide

C23H28N4OS — CID 42922665

IUPAC2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCC(c3cccs3)N3CCC(C)CC3)cc2nc1C
InChIInChI=1S/C23H28N4OS/c1-15-8-10-27(11-9-15)21(22-5-4-12-29-22)14-24-23(28)18-6-7-19-20(13-18)26-17(3)16(2)25-19/h4-7,12-13,15,21H,8-11,14H2,1-3H3,(H,24,28)
InChIKeyADPUYDVSZCAFEV-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.51
Rot. Bonds5

About 2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide

2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide (PubChem CID 42922665) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
PubChem CID42922665
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
SMILESCc1nc2ccc(C(=O)NCC(c3cccs3)N3CCC(C)CC3)cc2nc1C
InChIInChI=1S/C23H28N4OS/c1-15-8-10-27(11-9-15)21(22-5-4-12-29-22)14-24-23(28)18-6-7-19-20(13-18)26-17(3)16(2)25-19/h4-7,12-13,15,21H,8-11,14H2,1-3H3,(H,24,28)
InChIKeyADPUYDVSZCAFEV-UHFFFAOYSA-N
XLogP4.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 43006371
4-methoxy-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 35577491
3-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 119830765
N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(tetrazol-1-yl)benzamide
CID 51969392
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-(2H-tetrazol-5-yl)benzamide
CID 167959073
3-hydroxy-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-nitrobenzamide
CID 24639919
1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
CID 30523873
4-chloro-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide
CID 8781620
4-bromo-N-[2-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 112768607
5,7-dimethyl-N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34940122
N-[4-[[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522585
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 43006358

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide?
The IUPAC name of 2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide (CID 42922665) is 2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide?
The canonical SMILES for 2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide is Cc1nc2ccc(C(=O)NCC(c3cccs3)N3CCC(C)CC3)cc2nc1C.
What is the InChIKey of 2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide?
The InChIKey is ADPUYDVSZCAFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-15-8-10-27(11-9-15)21(22-5-4-12-29-22)14-24-23(28)18-6-7-19-20(13-18)26-17(3)16(2)25-19/h4-7,12-13,15,21H,8-11,14H2,1-3H3,(H,24,28).
What are the key properties of 2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide?
2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide has a molecular weight of 408.57 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 42922665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).