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Also known as: Jnj-40411813, 1127498-03-6, Adx-71149, Jnj40411813, Jnj 40411813, 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one

Molecular Formula

C₂₀H₂₅ClN₂O

Molecular Weight

344.9 g/mol

InChI Key

HYOGJHCDLQSAHX-UHFFFAOYSA-N

FDA UNII

612BYT76F3

JNJ-40411813 has been used in trials studying the treatment and basic science of Confusion, Schizophrenia, Perceptual Disorders, and Major Depressive Disorder.

1 2D Structure

ADX71149

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one

2.1.2 InChI

InChI=1S/C20H25ClN2O/c1-2-3-12-23-15-11-18(19(21)20(23)24)22-13-9-17(10-14-22)16-7-5-4-6-8-16/h4-8,11,15,17H,2-3,9-10,12-14H2,1H3

2.1.3 InChI Key

HYOGJHCDLQSAHX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)C3=CC=CC=C3

2.2 Other Identifiers

2.2.1 UNII

612BYT76F3

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1h)-pyridone

2. Adx71149

3. Jnj-40411813

2.3.2 Depositor-Supplied Synonyms

1. Jnj-40411813

2. 1127498-03-6

3. Adx-71149

4. Jnj40411813

5. Jnj 40411813

6. 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2-one

7. Chembl3337527

8. 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1h)-pyridone

9. 612byt76f3

10. 1-butyl-3-chloro-4-(4-phenylpiperidin-1-yl)pyridin-2(1h)-one

11. 1'-butyl-3'-chloro-4-phenyl-3,4,5,6-tetrahydro-2h,1'h-[1,4']bipyridinyl-2'-one

12. 1-butyl-3-chloranyl-4-(4-phenylpiperidin-1-yl)pyridin-2-one

13. 1'-butyl-3'-chloro-4-phenyl-3,4,5,6-tetrahydro-2h,1'h-(1,4')bipyridinyl-2'-one

14. Adx71149

15. Adx 71149

16. Unii-612byt76f3

17. Gtpl8946

18. Schembl1035416

19. Dtxsid601032323

20. Bcp23709

21. Cvb49803

22. Ex-a2902

23. Bdbm50051408

24. Zinc59047060

25. Cs-3357

26. Db12059

27. Sb16990

28. Adx-71149adx-71149

29. Ncgc00485897-01

30. Ac-35478

31. Da-15400

32. Hy-15748

33. Ft-0752754

34. Jnj-40411813; Adx-71149

35. A894527

36. Q27895859

37. 3-chloro-1-butyl-4-(4-phenylpiperidino)pyridine-2(1h)-one

38. 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-2(1h)-pyridinone

39. 1'-butyl-3'-chloro-4-phenyl-3,4,5,6-tetrahydro-2h,1 'h-[1,4']bipyridinyl-2'-one

40. 1'-butyl-3'-chloro-4-phenyl-3,4,5,6-tetrahydro-2h,1'h-[1,4]bipyridinyl-2'-one

41. Jnj-40411813; Jnj 40411813; Adx71149; Adx 71149; Adx-71149

42. Hzr

2.4 Create Date

2009-03-30

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₅ClN₂O
Molecular Weight	344.9 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	344.1655411 g/mol
Monoisotopic Mass	344.1655411 g/mol
Topological Polar Surface Area	23.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	500
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