3-(Acetylamino)-N-[3-(2-pyridinylamino)propyl]-1-piperidinecarboxamide
C16H25N5O2
1281060-70-5 Copyright (C) 2024 ACS
 23 24  0  0  0  0  0  0  0  0999 V2000
   10.6697    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    4.6201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0023    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0012    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045    3.0801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3383    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3383    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6720    3.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    2.3101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6708    0.7700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6675    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1 12  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <cas.rn>
1281060-70-5

> <cas.index.name>
1-Piperidinecarboxamide, 3-(acetylamino)-N-[3-(2-pyridinylamino)propyl]-

> <molecular.formula>
C16H25N5O2

> <molecular.weight>
319.40

> <boiling.point.predicted>
668.6±55.0 °C    Press: 760 Torr

> <density.predicted>
1.18±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
15.21±0.40    Most Acidic Temp: 25 °C

$$$$
