CAS 183288-46-2 5-(Piperazin-1-yl)benzofuran-2-carboxamide (HCID 9834719)

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Basic information

CAS: 183288-46-2
Standard SMILES: NC(=O)c1cc2cc(N3CCNCC3)ccc2o1
InChIKey: LLRGOAFFRRUFBM-UHFFFAOYSA-N
Molecular formula: C13H15N3O2
Average molar mass: 245.28 g/mol
Monoisotopic mass: 245.11642672

Names & identifiers

Preferred name: 5-(Piperazin-1-yl)benzofuran-2-carboxamide
IUPAC: 5-piperazin-1-yl-1-benzofuran-2-carboxamide
English name: 5-piperazin-1-yl-1-benzofuran-2-carboxamide
Molecular formula: C13H15N3O2
Molecular weight: 245.28

Names & synonyms

183288-46-25-(Piperazin-1-yl)benzofuran-2-carboxamide2-Benzofurancarboxamide, 5-(1-piperazinyl)-DTXSID60431492B67DWQ6935RefChem:101839DTXCID503823235-(1-piperazinyl)benzofuran-2-carboxamide1-(2-Aminocarbonylbenzofuran-5-yl)piperazineMFCD204861395-piperazin-1-yl-1-benzofuran-2-carboxamide5-piperazin-1-ylbenzofuran-2-carboxamide

Show more names

Vilazodone INT 41-(2-AMinocarbonylbenzofuran-5-yl)5-(1-Piperazinyl)benzofuran-2-carboxamid5-(piperazine-1-yl)benzofuran-2-Foramide5-(piperazin-1-yl)benzofuran- 2-carboxaMide5-(Piperazine-1-yl) benzofuran-2-carboxamide

5-(piperazin-1-yl)-1-benzofuran-2-carboxamideUNII-B67DWQ6935CS-M1252AS-189045-(1-piperazinyl)-2-BenzofurancarboxamideVilazodone IntermidiateFT-0697868SCHEMBL1322886

Database identifiers

CAS: 183288-46-2

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 71.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 317

Physicochemical properties

Melting point: 215 °C · >215°C (dec.)
Boiling point: 505.3 · 505.3±40.0 °C(Predicted)
Density: 1.268 · 1.268
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: DMSO (Slightly), Methanol (Slightly, Heated and Sonicated)
pka: 15.79 · 15.79±0.30(Predicted)
form: Solid
color: Off-White to Yellow
InChI: InChI=1S/C13H15N3O2/c14-13(17)12-8-9-7-10(1-2-11(9)18-12)16-5-3-15-4-6-16/h1-2,7-8,15H,3-6H2,(H2,14,17)
InChIKey: LLRGOAFFRRUFBM-UHFFFAOYSA-N
SMILES: O1C2=CC=C(N3CCNCC3)C=C2C=C1C(N)=O
FDA UNII: 67 DWQ6935 · B67DWQ6935
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335