4-[(3S)-1-(1-Oxo-2-propen-1-yl)-3-piperidinyl]-1H-indole-7-carboxamide
C17H19N3O2
1643570-24-4 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  22 24 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 1.3337 1.5400 0.0 0
M  V30 2 N 0.0000 2.3100 0.0 0
M  V30 3 O 1.3337 0.0000 0.0 0
M  V30 4 C 10.6696 3.8501 0.0 0
M  V30 5 C 12.0033 4.6201 0.0 0
M  V30 6 O 10.6696 2.3100 0.0 0
M  V30 7 C 13.3369 3.8501 0.0 0
M  V30 8 C 5.3348 3.8501 0.0 0
M  V30 9 C 4.0010 4.6201 0.0 0
M  V30 10 C 5.3348 2.3100 0.0 0
M  V30 11 C 2.6673 3.8501 0.0 0
M  V30 12 C 3.6808 6.1264 0.0 0
M  V30 13 C 4.0010 1.5400 0.0 0
M  V30 14 C 2.6673 2.3100 0.0 0
M  V30 15 N 1.5229 4.8805 0.0 0
M  V30 16 C 2.1493 6.2875 0.0 0
M  V30 17 C 6.6685 4.6201 0.0 0 CFG=2
M  V30 18 C 8.0021 3.8501 0.0 0
M  V30 19 C 6.6685 6.1601 0.0 0
M  V30 20 N 9.3360 4.6201 0.0 0
M  V30 21 C 8.0021 6.9301 0.0 0
M  V30 22 C 9.3360 6.1601 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 1 3
M  V30 3 1 1 14
M  V30 4 1 4 5
M  V30 5 2 4 6
M  V30 6 1 4 20
M  V30 7 2 5 7
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 17 8 CFG=3
M  V30 11 1 9 11
M  V30 12 1 9 12
M  V30 13 2 10 13
M  V30 14 2 11 14
M  V30 15 1 11 15
M  V30 16 2 12 16
M  V30 17 1 13 14
M  V30 18 1 15 16
M  V30 19 1 17 18
M  V30 20 1 17 19
M  V30 21 1 18 20
M  V30 22 1 19 21
M  V30 23 1 20 22
M  V30 24 1 21 22
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 17)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1643570-24-4

> <cas.index.name>
1H-Indole-7-carboxamide, 4-[(3S)-1-(1-oxo-2-propen-1-yl)-3-piperidinyl]-

> <molecular.formula>
C17H19N3O2

> <molecular.weight>
297.35

> <boiling.point.predicted>
611.2±55.0 °C    Press: 760 Torr

> <density.predicted>
1.261±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
15.98±0.30    Most Acidic Temp: 25 °C

$$$$
