N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide

C23H24N6O — CID 22432514

IUPACN-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(c2nc3ccccc3n3cnnc23)CC1
InChIInChI=1S/C23H24N6O/c30-23(24-13-10-17-6-2-1-3-7-17)18-11-14-28(15-12-18)21-22-27-25-16-29(22)20-9-5-4-8-19(20)26-21/h1-9,16,18H,10-15H2,(H,24,30)
InChIKeyJDBRHWYDMRIKSZ-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.85
Rot. Bonds5

About N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide

N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide (PubChem CID 22432514) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide
PubChem CID22432514
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)C1CCN(c2nc3ccccc3n3cnnc23)CC1
InChIInChI=1S/C23H24N6O/c30-23(24-13-10-17-6-2-1-3-7-17)18-11-14-28(15-12-18)21-22-27-25-16-29(22)20-9-5-4-8-19(20)26-21/h1-9,16,18H,10-15H2,(H,24,30)
InChIKeyJDBRHWYDMRIKSZ-UHFFFAOYSA-N
XLogP2.85
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522803
N-(2-phenylethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-3-carboxamide
CID 22522896
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-propylpiperidine-4-carboxamide
CID 30444827
N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295767
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20882851
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 53062480
N-(2-methoxyethyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 126458585
N-[2-(azepan-1-yl)ethyl]-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522853
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-ethylpiperidine-4-carboxamide
CID 53062468
N-(3-pyrrolidin-1-ylpropyl)-1-pyrrolo[1,2-a]quinoxalin-4-ylpiperidine-4-carboxamide
CID 22522852
1-(4-benzyl-3-oxoquinoxalin-2-yl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 53062473

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide (CID 22432514) is N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide is O=C(NCCc1ccccc1)C1CCN(c2nc3ccccc3n3cnnc23)CC1.
What is the InChIKey of N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide?
The InChIKey is JDBRHWYDMRIKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c30-23(24-13-10-17-6-2-1-3-7-17)18-11-14-28(15-12-18)21-22-27-25-16-29(22)20-9-5-4-8-19(20)26-21/h1-9,16,18H,10-15H2,(H,24,30).
What are the key properties of N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide?
N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 22432514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).