Also known as: Mk-0657, 808732-98-1, Cerc-301, Rislenemdaz [usan], Rislenemdaz, (-)-, Mk-0657, (-)-

Molecular Formula

C₁₉H₂₃FN₄O₂

Molecular Weight

358.4 g/mol

InChI Key

RECBFDWSXWAXHY-IAGOWNOFSA-N

FDA UNII

1DY7M91WQ1

Mk 0657 has been used in trials studying the treatment of Major Depressive Disorder.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4-methylphenyl)methyl (3S,4R)-3-fluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

2.1.2 InChI

InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1

2.1.3 InChI Key

RECBFDWSXWAXHY-IAGOWNOFSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)COC(=O)N2CCC(C(C2)F)CNC3=NC=CC=N3

2.1.5 Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)N2CC[C@@H]([C@@H](C2)F)CNC3=NC=CC=N3

2.2 Other Identifiers

2.2.1 UNII

1DY7M91WQ1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-methylbenzyl 3-fluoro-4-((pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate

2. Mk-0657

2.3.2 Depositor-Supplied Synonyms

1. Mk-0657

2. 808732-98-1

3. Cerc-301

4. Rislenemdaz [usan]

5. Rislenemdaz, (-)-

6. Mk-0657, (-)-

7. 1dy7m91wq1

8. 5ham167s5t

9. 808733-05-3

10. Mk-0657, (+/-)-

11. 808732-98-1 (free Base)

12. 4-methylbenzyl (3s,4r)-3-fluoro-4-((pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate

13. Rislenemdaz (usan)

14. Cis-4-methylbenzyl 3-fluoro-4-((pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate

15. 1-piperidinecarboxylic Acid, 3-fluoro-4-((2-pyrimidinylamino)methyl)-, (4-methylphenyl)methyl Ester, (3r,4s)-rel-

16. 1-piperidinecarboxylic Acid, 3-fluoro-4-((2-pyrimidinylamino)methyl)-, (4-methylphenyl)methyl Ester, (3s,4r)-

17. Chembl2036513

18. 1-piperidinecarboxylic Acid, 3-fluoro-4-[(2-pyrimidinylamino)methyl]-, (4-methylphenyl)methyl Ester, (3r,4s)-rel-

19. Unii-1dy7m91wq1

20. Unii-5ham167s5t

21. Rislenemdaz [inn]

22. Rislenemdaz [who-dd]

23. Schembl4469674

24. Chembl2068839

25. Rislenemdaz, (+/-)-

26. Dtxsid801031864

27. Zinc6716889

28. Bdbm50385169

29. Mfcd14635204

30. Akos037643749

31. Cs-7798

32. Db12063

33. Hy-106441a

34. As-35130

35. D11340

36. Q18205913

37. Racemic Cis-4-methylbenzyl 3-fluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

38. (-)-(3s,4r)-4-methylbenzyl 3-fluoro-4-((pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate

39. (-)-(3s,4r)-4-methylbenzyl-3-flouro-4-((pyrimidin-2-ylamino)methyl)piperidine-1-carboxylate

40. (4-methylphenyl)methyl (3s,4r)-3-fluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate

41. 1221592-28-4

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₃FN₄O₂
Molecular Weight	358.4 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	358.18050415 g/mol
Monoisotopic Mass	358.18050415 g/mol
Topological Polar Surface Area	67.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	439
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Rislenemdaz

Rislenemdaz

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