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

C20H19N3O2 — CID 50992107

IUPAC2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCCC3)nc2c1
InChIInChI=1S/C20H19N3O2/c24-20(25)15-9-10-16-17(13-15)22-19(23-11-5-2-6-12-23)18(21-16)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25)
InChIKeyQNWSYLAQEPRNTF-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.99
Rot. Bonds3

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

2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid (PubChem CID 50992107) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound Name2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid
PubChem CID50992107
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid
SMILESO=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCCC3)nc2c1
InChIInChI=1S/C20H19N3O2/c24-20(25)15-9-10-16-17(13-15)22-19(23-11-5-2-6-12-23)18(21-16)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25)
InChIKeyQNWSYLAQEPRNTF-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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Related Compounds

2-(Piperidin-1-yl)quinoline-4-carboxylic acid
CID 230593
2-(Benzoylamino)-1-(3-phenylpropyl)-1H-benzimidazole-5-carboxylic acid
CID 73755260
2-Methyl-1-phenyl-1H-benzimidazole-5-carboxylic acid
CID 619926
3-(4-((4-(2-Oxo-2,3-dihydro-1H-benzo[D]imidazol-1-YL)piperidin-1-YL)methyl)phenyl)-2-phenylquinoxaline-6-carboxylic acid
CID 10196532
2-(4-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]methyl}phenyl)-3-phenylquinoxaline-6-carboxylic acid
CID 21103197
2,3-Diphenylquinoxaline-6-carboxylic acid
CID 629852
2,3-Diethylquinoxaline-6-carboxylic acid
CID 772501
2,3-Dimethylquinoxaline-6-carboxylic acid
CID 236268
1-Cyclohexylbenzodiazole-5-carboxylic acid
CID 513903
1-Phenyl-1H-benzoimidazole-5-carboxylic acid
CID 5328468
1-(3,5-Dimethylphenyl)-2-methyl-1H-benzimidazole-5-carboxylic acid
CID 5048736
2,3-Bis(2-pyridyl)quinoxaline-6-carboxylic acid
CID 394188

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid?
The IUPAC name of 2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid (CID 50992107) is 2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid.
What is the SMILES notation for 2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid?
The canonical SMILES for 2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid is O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCCCC3)nc2c1.
What is the InChIKey of 2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid?
The InChIKey is QNWSYLAQEPRNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(25)15-9-10-16-17(13-15)22-19(23-11-5-2-6-12-23)18(21-16)14-7-3-1-4-8-14/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25).
What are the key properties of 2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid?
2-phenyl-3-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 2-phenyl-3-piperidin-1-ylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 50992107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).