Chem 4 Acetimido Piperidine Ncc

Compound 81
  CheckMol                        TMF02:r0:m0
MF=C7H10N2O2 MW=154.17
 11 12  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2851    0.7545   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.0278    2.0632   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.7706    0.7663   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.0160    3.5722   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0556    0.0236   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3011    4.3268   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074    4.3386   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2893    5.8358   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6956    5.8476   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9807    6.6022   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  1  0  0
  5  8  1  0  1  0  0
  7  9  1  0  1  0  0
  8 10  1  0  1  0  0
  9 11  1  0  1  0  0
  3  4 01  0  1  0  0
 10 11  1  0  1  0  0
M  END

4-Acetimido Piperidine

₹ 0.00 0.00

Chemical Name - 4-Acetimido Piperidine
Mol Weight - 154.168
Smiles - O=C1N(C2CCNCC2)C1=O
InChI - PJPFCGWIWHNCNH-UHFFFAOYSA-N
InChIKey - InChI=1S/C7H10N2O2/c10-6-7(11)9(6)5-1-3-8-4-2-5/h5,8H,1-4H2

Property Name	Property Value
Mol Name	4-Acetimido Piperidine
Molweight	154.168
Monoisotopic Mass	154.074228
Clogp	-0.9128
Clogs	-0.466
H Acceptors	4
H Donors	1
Total Surface Area	109.3
Relative Psa	0.35764
Polar Surface Area	49.18
Druglikeness	0.90481
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Shape Index	0.63636
Molecular Flexibility	0.45791
Molecular Complexity	0.61059
Fragments	1
Non H Atoms	11
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Sp3 Atoms	6
Symmetric Atoms	4
Amides	1
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Smiles	O=C1N(C2CCNCC2)C1=O
InChIKey	InChI=1S/C7H10N2O2/c10-6-7(11)9(6)5-1-3-8-4-2-5/h5,8H,1-4H2
InChI	PJPFCGWIWHNCNH-UHFFFAOYSA-N

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4-Acetimido Piperidine