CAS 183288-43-9

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Chemistry

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Also known as: 183288-43-9, 1-boc-4-(2-(ethoxycarbonyl)benzofuran-5-yl)piperazine, Ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxylate, Tert-butyl 4-(2-ethoxycarbonyl-1-benzofuran-5-yl)piperazine-1-carboxylate, 1-piperazinecarboxylic acid, 4-[2-(ethoxycarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl ester, 4-(2-(ethoxycarbonyl)-5-benzofuranyl)-1-piperazinecarboxylic acid tert-butyl ester

Molecular Formula

C₂₀H₂₆N₂O₅

Molecular Weight

374.4 g/mol

InChI Key

UGJBHBXXMCVEIH-UHFFFAOYSA-N

1 2D Structure

CAS 183288-43-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl 4-(2-ethoxycarbonyl-1-benzofuran-5-yl)piperazine-1-carboxylate

2.1.2 InChI

InChI=1S/C20H26N2O5/c1-5-25-18(23)17-13-14-12-15(6-7-16(14)26-17)21-8-10-22(11-9-21)19(24)27-20(2,3)4/h6-7,12-13H,5,8-11H2,1-4H3

2.1.3 InChI Key

UGJBHBXXMCVEIH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCN(CC3)C(=O)OC(C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 183288-43-9

2. 1-boc-4-(2-(ethoxycarbonyl)benzofuran-5-yl)piperazine

3. Ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-carboxylate

4. Tert-butyl 4-(2-ethoxycarbonyl-1-benzofuran-5-yl)piperazine-1-carboxylate

5. 1-piperazinecarboxylic Acid, 4-[2-(ethoxycarbonyl)-5-benzofuranyl]-, 1,1-dimethylethyl Ester

6. 4-(2-(ethoxycarbonyl)-5-benzofuranyl)-1-piperazinecarboxylic Acid Tert-butyl Ester

7. Schembl1886952

8. Dtxsid80457795

9. Amy21586

10. Bcp06220

11. Cs-m1869

12. Mfcd21607421

13. Zinc38331188

14. Akos016005437

15. Ac-25887

16. As-19181

17. Da-18281

18. Ft-0697867

19. A880834

20. Ethyl 5-(4-tert-butoxycarbonyl-1-piperazinyl)benzofuran-2-caboxylate

21. Ethyl 5-(4-tert-butoxycarbonylpiperazin-1-yl)benzofuran-2-carboxylate

22. Tert-butyl4-(2-(ethoxycarbonyl)benzofuran-5-yl)piperazine-1-carboxylate

23. 1-piperazinecarboxylic Acid,4-(2-(ethoxycarbonyl)-5-benzofuranyl)-,tert-butyl Ester

24. 1-piperazinecarboxylic Acid,4-[2-(ethoxycarbonyl)-5-benzofuranyl]-,1,1-dimethylethyl Ester

25. Tert-butyl 4-[2-(ethoxycarbonyl)-1-benzofuran-5-yl]piperazine-1-carboxylate

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₆N₂O₅
Molecular Weight	374.4 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	374.18417193 g/mol
Monoisotopic Mass	374.18417193 g/mol
Topological Polar Surface Area	72.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	539
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1