
 SMR000106628

 43 45  0  0  0  0  0  0  0  0999 V2000
    0.1308    2.6067    0.7850 C   0  0  0  0  0
   -1.3257    2.7898    1.2189 C   0  0  0  0  0
   -1.8791    1.5339    1.7364 N   0  0  0  0  0
   -1.1075    1.0940    2.9071 C   0  0  0  0  0
    0.3650    0.8333    2.5205 C   0  0  0  0  0
    0.9748    1.9756    1.8042 N   0  0  0  0  0
    2.3481    2.0460    1.5285 C   0  0  0  0  0
    2.8086    2.7089    0.5977 O   0  0  0  0  0
    3.3099    1.2901    2.3541 C   0  0  0  0  0
    4.2548    0.4865    1.7064 C   0  0  0  0  0
    5.2111   -0.1995    2.4514 C   0  0  0  0  0
    5.2301   -0.0720    3.8413 C   0  0  0  0  0
    4.3045    0.7507    4.4858 C   0  0  0  0  0
    3.3501    1.4438    3.7413 C   0  0  0  0  0
   -2.3504    0.5019    0.9344 C   0  0  0  0  0
   -2.0948   -0.6723    1.2338 O   0  0  0  0  0
   -3.0755    0.7782   -0.1938 N   0  0  0  0  0
   -3.7769    2.0010   -0.5799 C   0  0  0  0  0
   -3.2249    2.4646   -1.9365 C   0  0  0  0  0
   -3.4149    1.4419   -2.9336 O   0  0  0  0  0
   -2.7694    0.2115   -2.5539 C   0  0  0  0  0
   -3.2615   -0.2845   -1.1882 C   0  0  0  0  0
    0.1751    1.9725   -0.1104 H   0  0  0  0  0
    0.5480    3.5856    0.5172 H   0  0  0  0  0
   -1.8717    3.1950    0.3755 H   0  0  0  0  0
   -1.3891    3.5299    2.0267 H   0  0  0  0  0
   -1.1646    1.8886    3.6612 H   0  0  0  0  0
   -1.5501    0.1962    3.3526 H   0  0  0  0  0
    0.9297    0.5975    3.4236 H   0  0  0  0  0
    0.4425   -0.0321    1.8521 H   0  0  0  0  0
    4.2482    0.4073    0.6209 H   0  0  0  0  0
    5.9463   -0.8225    1.9495 H   0  0  0  0  0
    5.9803   -0.6043    4.4215 H   0  0  0  0  0
    4.3390    0.8615    5.5658 H   0  0  0  0  0
    2.6514    2.1105    4.2435 H   0  0  0  0  0
   -3.7486    2.7688    0.1924 H   0  0  0  0  0
   -4.8354    1.7330   -0.6978 H   0  0  0  0  0
   -3.7489    3.3628   -2.2767 H   0  0  0  0  0
   -2.1537    2.6970   -1.8788 H   0  0  0  0  0
   -2.9916   -0.5333   -3.3250 H   0  0  0  0  0
   -1.6852    0.3723   -2.5416 H   0  0  0  0  0
   -4.3347   -0.5045   -1.2288 H   0  0  0  0  0
   -2.7375   -1.2052   -0.9175 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 29  1  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 35  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 18 37  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
SMR000106628

>  <PubChem CID>
2901963

>  <Formula>
C16H21N3O3

>  <Molecular Weight>
303.362000

>  <IUPAC Name>
[4-(morpholine-4-carbonyl)piperazin-1-yl]-phenylmethanone

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)N3CCOCC3

>  <Isomeric SMILES>
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)N3CCOCC3

>  <InChI Std. ID>
InChI=1S/C16H21N3O3/c20-15(14-4-2-1-3-5-14)17-6-8-18(9-7-17)16(21)19-10-12-22-13-11-19/h1-5H,6-13H2

>  <InChI Key>
ADCFHMCTXCRKBR-UHFFFAOYSA-N

