N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide

C22H24N4O3 — CID 46365183

IUPACN-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3ccccc3nc2N2CCCCC2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-28-15-10-11-18(19(14-15)29-2)25-22(27)20-21(26-12-6-3-7-13-26)24-17-9-5-4-8-16(17)23-20/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,25,27)
InChIKeyKSCYHFJIXBJHTC-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.89
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide

N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide (PubChem CID 46365183) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
PubChem CID46365183
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3ccccc3nc2N2CCCCC2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-28-15-10-11-18(19(14-15)29-2)25-22(27)20-21(26-12-6-3-7-13-26)24-17-9-5-4-8-16(17)23-20/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,25,27)
InChIKeyKSCYHFJIXBJHTC-UHFFFAOYSA-N
XLogP3.89
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46365271
N-(2,4-dimethoxyphenyl)-3-methoxyquinoxaline-2-carboxamide
CID 50780781
N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365212
(3R)-N-(2,4-dimethoxyphenyl)-1-(3-propoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 94009810
N-(2,4-dimethoxyphenyl)phenazine-1-carboxamide
CID 16824395
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]quinoxaline-2-carboxamide
CID 46365165
N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959514
2,4-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 6457289
N-(2,4-dimethoxyphenyl)-5-(dimethylsulfamoyl)-2-piperidin-1-ylbenzamide
CID 30274722
N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
CID 53094663
(3S)-1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 92888922
N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892206

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide (CID 46365183) is N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide is COc1ccc(NC(=O)c2nc3ccccc3nc2N2CCCCC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
The InChIKey is KSCYHFJIXBJHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-15-10-11-18(19(14-15)29-2)25-22(27)20-21(26-12-6-3-7-13-26)24-17-9-5-4-8-16(17)23-20/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,25,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide?
N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 46365183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).