7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline

C18H19N3S — CID 91038738

IUPAC7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline
SMILESc1csc(-c2cnc3ccc(CN4CCCCC4)cc3n2)c1
InChIInChI=1S/C18H19N3S/c1-2-8-21(9-3-1)13-14-6-7-15-16(11-14)20-17(12-19-15)18-5-4-10-22-18/h4-7,10-12H,1-3,8-9,13H2
InChIKeyWCGROEXMQPSHLP-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.34
Rot. Bonds3

About 7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline

7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline (PubChem CID 91038738) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline.

Molecular Properties

Compound Name7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline
PubChem CID91038738
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline
SMILESc1csc(-c2cnc3ccc(CN4CCCCC4)cc3n2)c1
InChIInChI=1S/C18H19N3S/c1-2-8-21(9-3-1)13-14-6-7-15-16(11-14)20-17(12-19-15)18-5-4-10-22-18/h4-7,10-12H,1-3,8-9,13H2
InChIKeyWCGROEXMQPSHLP-UHFFFAOYSA-N
XLogP4.34
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methylsulfonyl-2-thiophen-2-ylquinoxaline
CID 90740809
2-thiophen-2-ylpyrido[3,4-b]pyrazine
CID 19063766
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-thiophen-2-ylpyrimidine
CID 171989105
1-[(3-fluorophenyl)methyl]-4-[2-(2-methyl-6-thiophen-2-ylpyrimidin-4-yl)ethyl]-1,4-diazepane
CID 155524336
2-methyl-4-[2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethyl]-6-thiophen-2-ylpyrimidine
CID 155514521
2-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3-thiazole
CID 151399077
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
2-methoxy-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174283606
6-[3-(piperidin-1-ylmethyl)phenyl]pyrido[2,3-b]pyrazine
CID 46196307
4-chloro-6-(piperidin-1-ylmethyl)quinoline
CID 138974871
2-cyclopropyl-6-(pyrrolidin-1-ylmethyl)quinoline
CID 174283470
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 24516052

Frequently Asked Questions

What is the IUPAC name of 7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline?
The IUPAC name of 7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline (CID 91038738) is 7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline.
What is the SMILES notation for 7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline?
The canonical SMILES for 7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline is c1csc(-c2cnc3ccc(CN4CCCCC4)cc3n2)c1.
What is the InChIKey of 7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline?
The InChIKey is WCGROEXMQPSHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-2-8-21(9-3-1)13-14-6-7-15-16(11-14)20-17(12-19-15)18-5-4-10-22-18/h4-7,10-12H,1-3,8-9,13H2.
What are the key properties of 7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline?
7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline has a molecular weight of 309.44 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(piperidin-1-ylmethyl)-2-thiophen-2-ylquinoxaline is sourced from PubChem (CID 91038738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).