N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide

C22H24N4O — CID 16813344

IUPACN-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)cc1C
InChIInChI=1S/C22H24N4O/c1-15-7-8-18(13-16(15)2)24-22(27)17-9-11-26(12-10-17)21-14-23-19-5-3-4-6-20(19)25-21/h3-8,13-14,17H,9-12H2,1-2H3,(H,24,27)
InChIKeyNTCJZGOVIPWVDK-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.10
Rot. Bonds3

About N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide

N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide (PubChem CID 16813344) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
PubChem CID16813344
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)cc1C
InChIInChI=1S/C22H24N4O/c1-15-7-8-18(13-16(15)2)24-22(27)17-9-11-26(12-10-17)21-14-23-19-5-3-4-6-20(19)25-21/h3-8,13-14,17H,9-12H2,1-2H3,(H,24,27)
InChIKeyNTCJZGOVIPWVDK-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

N-(3-chloro-4-methylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16875988
N-(3-methoxyphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide
CID 16875982
N-(3,4-dimethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152605
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
N-(3,4-dimethylphenyl)-1-(6-pyrazol-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 90514082
1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479378
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741382
1-quinoxalin-2-ylazepane-4-carboxylic acid
CID 139695402
N-(2,6-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 46354237
N-(3,4-dimethylphenyl)-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333861
N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113006432
N-(3,4-dimethylphenyl)-1-[6-(furan-2-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30364463

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide (CID 16813344) is N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(c3cnc4ccccc4n3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide?
The InChIKey is NTCJZGOVIPWVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-7-8-18(13-16(15)2)24-22(27)17-9-11-26(12-10-17)21-14-23-19-5-3-4-6-20(19)25-21/h3-8,13-14,17H,9-12H2,1-2H3,(H,24,27).
What are the key properties of N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide?
N-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-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-(3,4-dimethylphenyl)-1-quinoxalin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 16813344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).