| CAS Number | 1208549-68-1 |
| Catalog Number | AG0097F6 |
| Chemical Name | CAY10640 |
| IUPAC Name | 1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea |
| InChI | InChI=1S/C17H20F3N3O3/c18-17(19,20)26-14-5-3-12(4-6-14)21-16(25)22-13-7-9-23(10-8-13)15(24)11-1-2-11/h3-6,11,13H,1-2,7-10H2,(H2,21,22,25) |
| InChI Key | CHOHWMGAQRIMFF-UHFFFAOYSA-N |
| MDL Number | MFCD15832858 |
| Molecular Formula | C17H20F3N3O3 |
| Molecular Weight | 371.3542 |
| SMILES | C1(CC1)C(=O)N1CCC(CC1)NC(=O)NC1=CC=C(C=C1)OC(F)(F)F |
| Synonyms | CHEMBL1257405,
1208549-68-1,
CHOHWMGAQRIMFF-UHFFFAOYSA-N,
SCHEMBL2716978,
CAY10640,
BDBM50327846,
ZINC40097054,
AKOS034290949,
MCULE-6997203913,
Z409838610,
1-(1-cyclopropanecarbonylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea,
1-(1-(Cyclopropanecarbonyl)piperidin-4-yI)-3-(4-(trifluoromethoxy)phenyl)urea,
1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl) urea,
1-(1-(cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea,
1-(1-(cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(trifluorome,
|
| Complexity | 509 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.146g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.36g/mol |
| Monoisotopic Mass | 371.146g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number