C1CCC(CC1)OC2=CC=C(C=C2)CN3CCN(CC3)C(=O)NC4=CC=CC=C4
Name: 4-[(4-cyclohexyloxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
SMILES: C1CCC(CC1)OC2=CC=C(C=C2)CN3CCN(CC3)C(=O)NC4=CC=CC=C4

Molecular Processing

Molecular formula
C24H31N3O2
Molecular weight
393.53
Exact mass
393.2416
XLogP
4.75
TPSA
44.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
116.25

Supplementary Information

InChIKey: GBCUBKYFVYLOTM-UHFFFAOYSA-N
Synonyme
SCHEMBL3595593CHEMBL3959218GBCUBKYFVYLOTM-UHFFFAOYSA-NBDBM188430US9169224, 1194-(4-Cyclohexyloxy-benzyl)-piperazine-1-carboxylic acid phenylamide
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