Tert-butyl 4-(2-carbamoylbenzofuran-5-yl)piperazine-1-carboxylate

HCID 11244883CAS 183288-44-0

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Basic information

Standard SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1
InChIKey: RXWUUFACDXGVIO-UHFFFAOYSA-N
Molecular formula: C18H23N3O4
Average molar mass: 345.4 g/mol
Monoisotopic mass: 345.16885622

Names & identifiers

Preferred name: Tert-butyl 4-(2-carbamoylbenzofuran-5-yl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate
English name: 5-(4-tert-Butoxycarbonyl-2-piperazinyl)benzofuran-2-carboxaMide
Molecular formula: C18H23N3O4
Molecular weight: 345.39

Names & synonyms

183288-44-0Tert-butyl 4-(2-carbamoylbenzofuran-5-yl)piperazine-1-carboxylatetert-butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate4-[2-(Aminocarbonyl)-5-benzofuranyl]-1-piperazinecarboxylic Acid tert-Butyl EsterMFCD222085581-Piperazinecarboxylic acid, 4-[2-(aminocarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester4-[2-(Aminocarbonyl)-5-benzofuranyl]-1-piperazinecarboxylic Acid 1,1-Dimethylethyl Ester5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxamidetert-butyl4-(2-carbamoylbenzofuran-5-yl)piperazine-1-carboxylateorb3143669SCHEMBL1769434DTXSID90459987

Show more names

5-(4-tert-Butoxycarbonyl-2-piperazinyl)benzofuran-2-carboxaMidetert-butyl 3-(2-carbamoylbenzofuran-5-yl)piperazine-1-carboxylate

CS-M1870TYD-03007AKOS016004216tert-butyl 4-[2-(aminocarbonyl)-1-benzofuran-5-yl]piperazine-1-carboxylateCS-13074DA-182821-Boc-4-(2-carbamoylbenzofuran-5-yl)piperazineF789404

Database identifiers

CAS: 183288-44-0
PubChem CID: 11244883
DTXSID: DTXSID90459987
EC Number: 696-273-4

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 89 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 511

Physicochemical properties

Melting point: 200 °C · >200°C (dec.)
Boiling point: 544 ℃ · 544℃
Density: 1.253 · 1.253
Flash point: 283 ℃ · 283℃
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 15.79 · 15.79±0.30(Predicted)
form: Solid
color: Off-White to Pale Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338