2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid

C26H23N3O2 — CID 50992024

IUPAC2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCC(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C26H23N3O2/c30-26(31)21-11-12-22-23(17-21)28-25(24(27-22)20-9-5-2-6-10-20)29-15-13-19(14-16-29)18-7-3-1-4-8-18/h1-12,17,19H,13-16H2,(H,30,31)
InChIKeyVBOARJZBQGMIEJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP5.38
Rot. Bonds4

About 2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid

2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid (PubChem CID 50992024) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid
PubChem CID50992024
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCC(c4ccccc4)CC3)nc2c1
InChIInChI=1S/C26H23N3O2/c30-26(31)21-11-12-22-23(17-21)28-25(24(27-22)20-9-5-2-6-10-20)29-15-13-19(14-16-29)18-7-3-1-4-8-18/h1-12,17,19H,13-16H2,(H,30,31)
InChIKeyVBOARJZBQGMIEJ-UHFFFAOYSA-N
XLogP5.38
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.49
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid?
The IUPAC name of 2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid (CID 50992024) is 2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid?
The canonical SMILES for 2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCC(c4ccccc4)CC3)nc2c1.
What is the InChIKey of 2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid?
The InChIKey is VBOARJZBQGMIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-26(31)21-11-12-22-23(17-21)28-25(24(27-22)20-9-5-2-6-10-20)29-15-13-19(14-16-29)18-7-3-1-4-8-18/h1-12,17,19H,13-16H2,(H,30,31).
What are the key properties of 2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid?
2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid has a molecular weight of 409.49 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylic acid is sourced from PubChem (CID 50992024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).