Chem N Benzyloxycarbonyl 4 Piperidone Ncc

Compound 135
  CheckMol                        TMF02:r0:m0
MF=C13H15NO3 MW=233.27
 17 18  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2944    0.7600   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2825    2.2800   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5887    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5768    3.0400   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8831    0.7837   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8712    2.2918   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1656    3.0518   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1537    4.5718   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4599    2.3156   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    3.0756   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0487    2.3393   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    9.0368    0.8431   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3430    3.0993   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   10.3311    0.0950   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   11.6374    2.3512   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   11.6255    0.8550   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  1  0  0
  2  4  1  0  1  0  0
  3  5  1  0  1  0  0
  4  6  1  0  1  0  0
  5  7  1  0  1  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13 02  0  1  0  0
 12 14 01  0  1  0  0
 13 15 01  0  1  0  0
 14 16 02  0  1  0  0
 15 17 02  0  1  0  0
  6  7  1  0  1  0  0
 16 17 01  0  1  0  0
M  END

N-Benzyloxycarbonyl-4-Piperidone

₹ 0.00 0.00

Chemical Name - N-Benzyloxycarbonyl-4-Piperidone
Mol Weight - 233.266
Smiles - O=C(N(CC1)CCC1=O)OCc1ccccc1
InChI - VZOVOHRDLOYBJX-UHFFFAOYSA-N
InChIKey - InChI=1S/C13H15NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2

Property Name	Property Value
Mol Name	N-Benzyloxycarbonyl-4-Piperidone
Molweight	233.266
Monoisotopic Mass	233.105194
Clogp	1.967
Clogs	-2.335
H Acceptors	4
Total Surface Area	184.36
Relative Psa	0.21496
Polar Surface Area	46.61
Druglikeness	-5.2127
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Shape Index	0.70588
Molecular Flexibility	0.43919
Molecular Complexity	0.58491
Fragments	1
Non H Atoms	17
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	6
Symmetric Atoms	4
Amides	1
Smiles	O=C(N(CC1)CCC1=O)OCc1ccccc1
InChIKey	InChI=1S/C13H15NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChI	VZOVOHRDLOYBJX-UHFFFAOYSA-N

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N-Benzyloxycarbonyl-4-Piperidone