Molecule ID: 25093352

IUPAC Name: 1-(1-acetylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea

Description: The molecule is a phenylurea that is urea substituted by 1-acetylpiperidin-4-yl and 4-(trifluoromethoxy)phenyl groups at positions 1 and 3 respectively. It has a role as an EC 3.3.2.10 (soluble epoxide hydrolase) inhibitor.

SMILES: CC(=O)N1CCC(N=C(O)Nc2ccc(OC(F)(F)F)cc2)CC1

SELFIES: [C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch2][N][=C][Branch1][C][O][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][Ring2][Ring1][Branch1]

InChI: InChI=1S/C15H18F3N3O3/c1-10(22)21-8-6-12(7-9-21)20-14(23)19-11-2-4-13(5-3-11)24-15(16,17)18/h2-5,12H,6-9H2,1H3,(H2,19,20,23)

Molecular Properties:
- Polar Surface Area: 70.7 Ų
- LogP: 2.2