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    CAS 5294-61-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 5294-61-1, N-(2,6-dimethylphenyl)-1-piperazineacetamide, N-(2,6-diphenylmethyl)-1-piperazine acetylamine, N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide, Cvt-2738, 1-piperazineacetamide, n-(2,6-dimethylphenyl)-
    Molecular Formula
    C14H21N3O
    Molecular Weight
    247.34  g/mol
    InChI Key
    NJKRFQIWDJSYOK-UHFFFAOYSA-N
    FDA UNII
    NYS3I6283H
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide
    2.1.2 InChI
    InChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)
    2.1.3 InChI Key
    NJKRFQIWDJSYOK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C(=CC=C1)C)NC(=O)CN2CCNCC2
    2.2 Other Identifiers
    2.2.1 UNII
    NYS3I6283H
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 5294-61-1

    2. N-(2,6-dimethylphenyl)-1-piperazineacetamide

    3. N-(2,6-diphenylmethyl)-1-piperazine Acetylamine

    4. N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide

    5. Cvt-2738

    6. 1-piperazineacetamide, N-(2,6-dimethylphenyl)-

    7. Unii-nys3i6283h

    8. Rs-94287

    9. 1-piperazineaceto-2',6'-xylidide

    10. Cvt 2738

    11. N-(2,6-dimethylphenyl)-2-piperazinylacetamide

    12. 1-[n-(2,6-dimethylphenyl)carbamoylmethyl]piperazine

    13. Ranolazine Related Compound C

    14. Nys3i6283h

    15. Ec 610-916-8

    16. 4-((2,6-dimethylphenyl)aminocarbonylmethyl)piperazine

    17. 4-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine

    18. Mls000567347

    19. 1-[(2,6-dimethylanilino)carbonyl-methyl]-piperazine

    20. Schembl1777934

    21. 1-[n-(2, 6-dimethylphenyl) Carbamoylmethyl]piperazine

    22. Chembl1346682

    23. Cvt2738

    24. Dtxsid60967408

    25. Hms2282g09

    26. Act06249

    27. Albb-006988

    28. Bcp22638

    29. Mfcd06384973

    30. Stk504225

    31. Zinc19976719

    32. Akos000266675

    33. Unii-nys3i6283hcvt 2738

    34. Ac-5903

    35. Cs-w010228

    36. Fs-2651

    37. Smr000154068

    38. Am20061064

    39. D4319

    40. Ft-0635604

    41. En300-12208

    42. N-(2,6-dimethylpheny)-1-piperazine-acetamide

    43. N-(2,6-dimethylphenyl)-2-piperazinoacetamide

    44. N-(2,6-dimethylphenyl)-l-piperazineacetamide

    45. A24912

    46. N-(2, 6-dimethylphenyl)-1-piperazineacetamide

    47. N-(2,6-dimethylphenyl)-1-piperazine Acetamide

    48. N-(2,6-dimethylphenyl)-1-piperazine-acetamide

    49. Ranolazine Related Compound C [usp-rs]

    50. 294d611

    51. N-(2,6-dimethylphenyl)-piperazin-1-yl-acetamide

    52. Q-102800

    53. 1-[(2,6-dimethylphenyl)aminocarbonylmethyl]piperazine

    54. Q27285110

    55. Z85917570

    56. 1-[(2,6-dimethylphenyl)aminocarbonylmethyl] Piperazine

    57. 2-(1-piperazinyl)-n-(2,6-dimethylphenyl)acetamide (dmpipa)

    58. N-(2,6-diphenylmethyl)-1-piperazine Acetylamine;1-[n-(2,6-dimethylphenyl)carbamoylmethyl]piperazine;rz-2;1-(2,6-dimethylphenyl)-1-piperazineacetamide

    2.4 Create Date
    2005-07-16
    3 Chemical and Physical Properties
    Molecular Weight 247.34 g/mol
    Molecular Formula C14H21N3O
    XLogP31.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass247.168462302 g/mol
    Monoisotopic Mass247.168462302 g/mol
    Topological Polar Surface Area44.4 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity266
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1