
 SMR000078951

 48 51  0  0  0  0  0  0  0  0999 V2000
    4.6996    2.5793   -3.7345 C   0  0  0  0  0
    4.3568    1.3797   -2.8439 C   0  0  0  0  0
    4.9739    0.0744   -3.3673 C   0  0  0  0  0
    6.4739   -0.0156   -3.1043 C   0  0  0  0  0
    6.7708    0.2186   -1.6276 C   0  0  0  0  0
    6.1737    1.5333   -1.1373 C   0  0  0  0  0
    4.7407    1.6188   -1.4392 N   0  0  0  0  0
    3.7973    2.2042   -0.5943 C   0  0  0  0  0
    2.6478    2.4492   -0.9760 O   0  0  0  0  0
    4.1837    2.5166    0.8435 C   0  0  0  0  0
    4.9089    3.7718    0.9912 N   0  0  0  0  0
    4.6383    4.9065    0.2747 C   0  0  0  0  0
    5.5163    5.9113    0.6450 C   0  0  0  0  0
    6.3014    5.3596    1.7181 C   0  0  0  0  0
    7.3146    5.8825    2.5539 C   0  0  0  0  0
    7.8824    5.0848    3.5524 C   0  0  0  0  0
    7.4603    3.7729    3.7302 C   0  0  0  0  0
    6.4644    3.2233    2.9180 C   0  0  0  0  0
    5.8978    4.0314    1.9168 C   0  0  0  0  0
    5.5754    7.2826    0.1111 C   0  0  0  0  0
    6.1982    8.1691    0.6977 O   0  0  0  0  0
    4.8217    7.5523   -1.1043 C   0  0  0  0  0
    4.2752    8.7358   -1.5728 C   0  0  0  0  0
    3.6185    8.4366   -2.7913 C   0  0  0  0  0
    3.8374    7.1009   -3.0234 C   0  0  0  0  0
    4.5841    6.5643   -2.0270 O   0  0  0  0  0
    4.1979    3.4849   -3.3773 H   0  0  0  0  0
    4.3757    2.3996   -4.7653 H   0  0  0  0  0
    5.7739    2.7869   -3.7538 H   0  0  0  0  0
    3.2680    1.2544   -2.8930 H   0  0  0  0  0
    4.7740   -0.0431   -4.4387 H   0  0  0  0  0
    4.4839   -0.7691   -2.8628 H   0  0  0  0  0
    6.8412   -1.0042   -3.4023 H   0  0  0  0  0
    7.0094    0.7210   -3.7139 H   0  0  0  0  0
    6.3498   -0.6084   -1.0417 H   0  0  0  0  0
    7.8532    0.2147   -1.4594 H   0  0  0  0  0
    6.3664    1.6257   -0.0683 H   0  0  0  0  0
    6.6661    2.3852   -1.6203 H   0  0  0  0  0
    4.7595    1.6931    1.2716 H   0  0  0  0  0
    3.2696    2.6170    1.4404 H   0  0  0  0  0
    3.8358    4.9077   -0.4532 H   0  0  0  0  0
    7.6459    6.9117    2.4357 H   0  0  0  0  0
    8.6531    5.5003    4.1970 H   0  0  0  0  0
    7.9062    3.1677    4.5164 H   0  0  0  0  0
    6.1395    2.2006    3.0792 H   0  0  0  0  0
    4.3258    9.6904   -1.0666 H   0  0  0  0  0
    3.0559    9.1098   -3.4226 H   0  0  0  0  0
    3.5451    6.4166   -3.8084 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 19  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 20  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
 18 45  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 22 26  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 24 25  2  0  0  0
 24 47  1  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
M  END

>  <Chemical Name>
SMR000078951

>  <PubChem CID>
2964527

>  <Formula>
C21H22N2O3

>  <Molecular Weight>
350.418000

>  <IUPAC Name>
2-[3-(furan-2-carbonyl)indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1CCCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4

>  <Isomeric SMILES>
CC1CCCCN1C(=O)CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CO4

>  <InChI Std. ID>
InChI=1S/C21H22N2O3/c1-15-7-4-5-11-23(15)20(24)14-22-13-17(16-8-2-3-9-18(16)22)21(25)19-10-6-12-26-19/h2-3,6,8-10,12-13,15H,4-5,7,11,14H2,1H3

>  <InChI Key>
DDFKIBRAGFANTI-UHFFFAOYSA-N

