CAS 163521-20-8

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Chemistry

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Also known as: 163521-20-8, Ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate, Ethyl 5-(1-piperazinyl)benzofuran-2-carboxylate, 2uzk946gr5, 2-benzofurancarboxylic acid, 5-(1-piperazinyl)-, ethyl ester, Mfcd18252307

Molecular Formula

C₁₅H₁₈N₂O₃

Molecular Weight

274.31 g/mol

InChI Key

ZKLDXJIVWKPASZ-UHFFFAOYSA-N

FDA UNII

2UZK946GR5

1 2D Structure

CAS 163521-20-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate

2.1.2 InChI

InChI=1S/C15H18N2O3/c1-2-19-15(18)14-10-11-9-12(3-4-13(11)20-14)17-7-5-16-6-8-17/h3-4,9-10,16H,2,5-8H2,1H3

2.1.3 InChI Key

ZKLDXJIVWKPASZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCNCC3

2.2 Other Identifiers

2.2.1 UNII

2UZK946GR5

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 163521-20-8

2. Ethyl 5-piperazin-1-yl-1-benzofuran-2-carboxylate

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

4. 2uzk946gr5

5. 2-benzofurancarboxylic Acid, 5-(1-piperazinyl)-, Ethyl Ester

6. Mfcd18252307

7. 5-piperazin-1-yl-benzofuran-2-carboxylic Acid Ethyl Ester

8. Ethyl 5-(piperazin-1-yl)-1-benzofuran-2-carboxylate

9. 5-(1-piperazinyl)-2-benzofurancarboxylic Acid Ethyl Ester

10. 5-(1-piperazinyl)benzofuran-2-carboxylic Acid Ethyl Ester

11. Ethyl5-(piperazin-1-yl)benzofuran-2-carboxylate

12. Unii-2uzk946gr5

13. Schembl1888638

14. 2-benzofurancarboxylic Acid,5-(1-piperazinyl)-,ethyl Ester

15. Dtxsid60460666

16. Amy21612

17. Bcp07735

18. Cs-m1445

19. Zinc22010758

20. Akos015924745

21. Ac-26762

22. As-20016

23. Da-18261

24. Sy024791

25. Ft-0745262

26. L10031

27. A882565

28. Ethyl 5-(1-piperazinyl)-benzofuran-2-carboxylate

29. Ethyl 5-(piperazine-1-yl)benzofuran-2-carboxylate

30. A1-00094

31. Ethyl 5-(1-piperazinyl)-1-benzofuran-2-carboxylate

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₈N₂O₃
Molecular Weight	274.31 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	274.13174244 g/mol
Monoisotopic Mass	274.13174244 g/mol
Topological Polar Surface Area	54.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	344
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