N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide

C22H24N4O — CID 46354237

IUPACN-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C22H24N4O/c1-15-7-5-8-16(2)21(15)25-22(27)17-9-6-12-26(14-17)20-13-23-18-10-3-4-11-19(18)24-20/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,25,27)
InChIKeyOLPMBZXDRSTTKE-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.10
Rot. Bonds3

About N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide

N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide (PubChem CID 46354237) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
PubChem CID46354237
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C22H24N4O/c1-15-7-5-8-16(2)21(15)25-22(27)17-9-6-12-26(14-17)20-13-23-18-10-3-4-11-19(18)24-20/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,25,27)
InChIKeyOLPMBZXDRSTTKE-UHFFFAOYSA-N
XLogP4.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(3-chlorophenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 92726481
N-(4-propan-2-ylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 16875992
N-cyclopropyl-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 49431443
(3S)-N-[(2R)-4-phenylbutan-2-yl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 41015611
N-(1-quinoxalin-2-ylpiperidin-3-yl)cyclopropanecarboxamide
CID 155975943
(3S)-N-[(4-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 42584756
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
N-(2,6-dimethylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90600664
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514780
N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16813344
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide (CID 46354237) is N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide is Cc1cccc(C)c1NC(=O)C1CCCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide?
The InChIKey is OLPMBZXDRSTTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-7-5-8-16(2)21(15)25-22(27)17-9-6-12-26(14-17)20-13-23-18-10-3-4-11-19(18)24-20/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,25,27).
What are the key properties of N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide?
N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46354237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).