(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide

C23H25BrN4O2 — CID 95116089

IUPAC(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(Br)c(C)c2C)C1
InChIInChI=1S/C23H25BrN4O2/c1-14-15(2)18(11-10-17(14)24)26-22(29)16-7-6-12-28(13-16)21-23(30-3)27-20-9-5-4-8-19(20)25-21/h4-5,8-11,16H,6-7,12-13H2,1-3H3,(H,26,29)/t16-/m1/s1
InChIKeyAGNGYEFEOITMEZ-MRXNPFEDSA-N
MW469.38 g/mol
LogP4.87
Rot. Bonds4

About (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide

(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide (PubChem CID 95116089) has the molecular formula C23H25BrN4O2 and a molecular weight of 469.38 g/mol. Its IUPAC name is (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
PubChem CID95116089
Molecular FormulaC23H25BrN4O2
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC Name(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
SMILESCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(Br)c(C)c2C)C1
InChIInChI=1S/C23H25BrN4O2/c1-14-15(2)18(11-10-17(14)24)26-22(29)16-7-6-12-28(13-16)21-23(30-3)27-20-9-5-4-8-19(20)25-21/h4-5,8-11,16H,6-7,12-13H2,1-3H3,(H,26,29)/t16-/m1/s1
InChIKeyAGNGYEFEOITMEZ-MRXNPFEDSA-N
XLogP4.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

N-(2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752620
N-(4-chloro-2-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752576
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
(3R)-1-(3-methoxyquinoxalin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93072981
(3R)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047690
(3R)-N-(2,5-difluorophenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047699
(3S)-N-(2-ethoxyphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047687
(3R)-N-[4-(4-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047724
N-cyclohexyl-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752597
N-(4-ethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752640
(3R)-N-[4-(2-methoxyphenoxy)phenyl]-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 97047726
(3S)-1-(3-ethoxyquinoxalin-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 97047734

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide (CID 95116089) is (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide is COc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(Br)c(C)c2C)C1.
What is the InChIKey of (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide?
The InChIKey is AGNGYEFEOITMEZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25BrN4O2/c1-14-15(2)18(11-10-17(14)24)26-22(29)16-7-6-12-28(13-16)21-23(30-3)27-20-9-5-4-8-19(20)25-21/h4-5,8-11,16H,6-7,12-13H2,1-3H3,(H,26,29)/t16-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide?
(3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide has a molecular weight of 469.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-2,3-dimethylphenyl)-1-(3-methoxyquinoxalin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 95116089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).