N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide

C20H20N4O — CID 647612

IUPACN-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1ccc2nccnc2c1
InChIInChI=1S/C20H20N4O/c25-20(15-8-9-16-18(14-15)22-11-10-21-16)23-17-6-2-3-7-19(17)24-12-4-1-5-13-24/h2-3,6-11,14H,1,4-5,12-13H2,(H,23,25)
InChIKeyBLGHJWAWEDQBMR-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.87
Rot. Bonds3

About N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide

N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide (PubChem CID 647612) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide
PubChem CID647612
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide
SMILESO=C(Nc1ccccc1N1CCCCC1)c1ccc2nccnc2c1
InChIInChI=1S/C20H20N4O/c25-20(15-8-9-16-18(14-15)22-11-10-21-16)23-17-6-2-3-7-19(17)24-12-4-1-5-13-24/h2-3,6-11,14H,1,4-5,12-13H2,(H,23,25)
InChIKeyBLGHJWAWEDQBMR-UHFFFAOYSA-N
XLogP3.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide (CID 647612) is N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide is O=C(Nc1ccccc1N1CCCCC1)c1ccc2nccnc2c1.
What is the InChIKey of N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide?
The InChIKey is BLGHJWAWEDQBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-20(15-8-9-16-18(14-15)22-11-10-21-16)23-17-6-2-3-7-19(17)24-12-4-1-5-13-24/h2-3,6-11,14H,1,4-5,12-13H2,(H,23,25).
What are the key properties of N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide?
N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylphenyl)quinoxaline-6-carboxamide is sourced from PubChem (CID 647612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).