3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide

C21H19F3N4O — CID 46365165

IUPAC3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)14-8-2-3-9-15(14)27-20(29)18-19(28-12-6-1-7-13-28)26-17-11-5-4-10-16(17)25-18/h2-5,8-11H,1,6-7,12-13H2,(H,27,29)
InChIKeyQXGCAYVXHHSJDJ-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.89
Rot. Bonds3

About 3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide

3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide (PubChem CID 46365165) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is 3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
PubChem CID46365165
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C21H19F3N4O/c22-21(23,24)14-8-2-3-9-15(14)27-20(29)18-19(28-12-6-1-7-13-28)26-17-11-5-4-10-16(17)25-18/h2-5,8-11H,1,6-7,12-13H2,(H,27,29)
InChIKeyQXGCAYVXHHSJDJ-UHFFFAOYSA-N
XLogP4.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The IUPAC name of 3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide (CID 46365165) is 3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for 3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The canonical SMILES for 3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1nc2ccccc2nc1N1CCCCC1.
What is the InChIKey of 3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
The InChIKey is QXGCAYVXHHSJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O/c22-21(23,24)14-8-2-3-9-15(14)27-20(29)18-19(28-12-6-1-7-13-28)26-17-11-5-4-10-16(17)25-18/h2-5,8-11H,1,6-7,12-13H2,(H,27,29).
What are the key properties of 3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide?
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide has a molecular weight of 400.40 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 46365165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).