4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid

C22H23N3O2 — CID 56880059

IUPAC4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(CCc2ccccc2)CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C22H23N3O2/c26-21(27)22(11-10-17-6-2-1-3-7-17)12-14-25(15-13-22)20-16-23-18-8-4-5-9-19(18)24-20/h1-9,16H,10-15H2,(H,26,27)
InChIKeyJQXJBAVKOLHGQQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.93
Rot. Bonds5

About 4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid

4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid (PubChem CID 56880059) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid
PubChem CID56880059
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(CCc2ccccc2)CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C22H23N3O2/c26-21(27)22(11-10-17-6-2-1-3-7-17)12-14-25(15-13-22)20-16-23-18-8-4-5-9-19(18)24-20/h1-9,16H,10-15H2,(H,26,27)
InChIKeyJQXJBAVKOLHGQQ-UHFFFAOYSA-N
XLogP3.93
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid (CID 56880059) is 4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid is O=C(O)C1(CCc2ccccc2)CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of 4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid?
The InChIKey is JQXJBAVKOLHGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21(27)22(11-10-17-6-2-1-3-7-17)12-14-25(15-13-22)20-16-23-18-8-4-5-9-19(18)24-20/h1-9,16H,10-15H2,(H,26,27).
What are the key properties of 4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid?
4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid has a molecular weight of 361.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-1-quinoxalin-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56880059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).