Name: 1-benzyl-3-[2-oxo-2-(pyridin-4-yl)ethyl]piperidine-4-one
SMILES:
O=C(CC1CN(Cc2ccccc2)CCC1=O)c1ccncc1Molecular Processing
Molecular formula
C19H20N2O2
Molecular weight
308.38
Exact mass
308.1525
XLogP
2.75
TPSA
50.27
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
88.02
Supplementary Information
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