3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid

C20H19N3O2 — CID 50992206

IUPAC3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(N3CCCCC3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C20H19N3O2/c24-20(25)15-9-10-16-17(13-15)21-18(14-7-3-1-4-8-14)19(22-16)23-11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25)
InChIKeyVBOLZYIAZQWHMQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.99
Rot. Bonds3

About 3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid

3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid (PubChem CID 50992206) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid
PubChem CID50992206
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(N3CCCCC3)c(-c3ccccc3)nc2c1
InChIInChI=1S/C20H19N3O2/c24-20(25)15-9-10-16-17(13-15)21-18(14-7-3-1-4-8-14)19(22-16)23-11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25)
InChIKeyVBOLZYIAZQWHMQ-UHFFFAOYSA-N
XLogP3.99
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid?
The IUPAC name of 3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid (CID 50992206) is 3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid?
The canonical SMILES for 3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(N3CCCCC3)c(-c3ccccc3)nc2c1.
What is the InChIKey of 3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid?
The InChIKey is VBOLZYIAZQWHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(25)15-9-10-16-17(13-15)21-18(14-7-3-1-4-8-14)19(22-16)23-11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25).
What are the key properties of 3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid?
3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 50992206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).