COC(=O)[C@H]1CNCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2C)CC1
Nombre: methyl(3R,4S)-4-[4-(4-cyano-2-methylphenyl)piperazin-1-yl]carbonylpiperidine-3-carboxylate
SMILES: COC(=O)[C@H]1CNCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2C)CC1

Molecular Processing

Molecular formula
C20H26N4O3
Molecular weight
370.45
Exact mass
370.2005
XLogP
0.91
TPSA
85.67
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.55
Molar refractivity
101.17

Supplementary Information

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