
 AC1PCYHY

 46 48  0  0  0  0  0  0  0  0999 V2000
    3.3038    6.0350   -6.8098 C   0  0  0  0  0
    4.1136    4.8566   -6.8174 O   0  0  0  0  0
    5.4447    5.0362   -6.6084 C   0  0  0  0  0
    5.9852    6.1265   -6.4645 O   0  0  0  0  0
    6.2001    3.7101   -6.6544 C   0  0  0  0  0
    7.4666    3.7798   -5.7903 C   0  0  0  0  0
    7.1389    3.7068   -4.2962 C   0  0  0  0  0
    6.3356    2.5321   -3.9050 N   0  0  0  0  0
    5.1037    2.4784   -4.7167 C   0  0  0  0  0
    5.3518    2.5024   -6.2316 C   0  0  0  0  0
    7.0732    1.2489   -4.0238 C   0  0  0  0  0
    8.3494    1.2042   -3.1834 C   0  0  0  0  0
    9.4020    0.8232   -3.6902 O   0  0  0  0  0
    8.1562    1.5835   -1.8668 N   0  0  0  0  0
    9.1220    1.5861   -0.8395 C   0  0  0  0  0
   10.3962    1.0290   -0.9806 C   0  0  0  0  0
   11.3253    1.1116    0.0574 C   0  0  0  0  0
   10.9792    1.7158    1.2665 C   0  0  0  0  0
    9.7056    2.2549    1.4269 C   0  0  0  0  0
    8.7784    2.1861    0.3791 C   0  0  0  0  0
   11.8420    1.8294    2.3256 O   0  0  0  0  0
   13.0028    1.0053    2.1575 C   0  0  0  0  0
   13.5326    1.0844    0.7354 C   0  0  0  0  0
   12.5650    0.5756   -0.1862 O   0  0  0  0  0
    3.1082    6.3359   -7.8423 H   0  0  0  0  0
    3.7523    6.8633   -6.2536 H   0  0  0  0  0
    2.3521    5.7827   -6.3335 H   0  0  0  0  0
    6.4954    3.5799   -7.7037 H   0  0  0  0  0
    8.0249    4.7025   -5.9893 H   0  0  0  0  0
    8.1383    2.9563   -6.0619 H   0  0  0  0  0
    8.0667    3.7559   -3.7155 H   0  0  0  0  0
    6.5820    4.6078   -4.0056 H   0  0  0  0  0
    4.5234    1.5844   -4.4568 H   0  0  0  0  0
    4.4664    3.3274   -4.4388 H   0  0  0  0  0
    5.8646    1.5835   -6.5415 H   0  0  0  0  0
    4.3903    2.4843   -6.7571 H   0  0  0  0  0
    7.3544    1.0228   -5.0574 H   0  0  0  0  0
    6.4389    0.4273   -3.6673 H   0  0  0  0  0
    7.2536    2.0087   -1.6758 H   0  0  0  0  0
   10.7084    0.5336   -1.8935 H   0  0  0  0  0
    9.4338    2.7299    2.3655 H   0  0  0  0  0
    7.7930    2.6199    0.5277 H   0  0  0  0  0
   13.7642    1.3578    2.8605 H   0  0  0  0  0
   12.7378   -0.0241    2.4277 H   0  0  0  0  0
   14.4385    0.4785    0.6334 H   0  0  0  0  0
   13.7786    2.1153    0.4514 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 24  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 43  1  0  0  0
 22 44  1  0  0  0
 23 24  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
M  END

>  <Chemical Name>
AC1PCYHY

>  <PubChem CID>
8742514

>  <Formula>
C17H22N2O5

>  <Molecular Weight>
334.372000

>  <IUPAC Name>
methyl 1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperidine-4-carboxylate

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC(=O)C1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCCO3

>  <Isomeric SMILES>
COC(=O)C1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCCO3

>  <InChI Std. ID>
InChI=1S/C17H22N2O5/c1-22-17(21)12-4-6-19(7-5-12)11-16(20)18-13-2-3-14-15(10-13)24-9-8-23-14/h2-3,10,12H,4-9,11H2,1H3,(H,18,20)

>  <InChI Key>
IVNBHPWWBYWGQT-UHFFFAOYSA-N

