IUPAC name
1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethan-1-one
SMILES
COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O
Compound class
Antipsychotic Agents; Adrenergic alpha-1 Receptor Antagonists; Nervous System; Psycholeptics; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
Treatment of acute schizophrenia.
Common name
Iloperidone
IUPAC name
1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethan-1-one
SMILES
COC1=C(OCCCN2CCC(CC2)C2=NOC3=C2C=CC(F)=C3)C=CC(=C1)C(C)=O
INCHI
InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
FORMULA
C24H27FN2O4
Common name
Iloperidone
IUPAC name
1-(4-{3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy}-3-methoxyphenyl)ethan-1-one
Molecular weight
426.481
clogP
5.081
clogS
-6.613
HBond Acceptor
6
HBond Donor
0
Total Polar Surface Area
64.8
Number of Rings
4
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00098 | acetaldehyde |
|
CC=O | 0.0182 |
| FDBF00671 | 1-ethylpiperidine |
|
N1(CCCCC1)CC | 0.0106 |
| FDBF00796 | propoxybenzene |
|
O(CCC)c1ccccc1 | 0.0062 |
| FDBF01476 | 1-(4-ethoxyphenyl)ethanone |
|
C(C)Oc1ccc(cc1)C(=O)C | 0.0007 |
| FDBF01702 | 6-fluoro-3-(1-methyl-4-piperidyl)-1,2-benzoxazole |
|
Fc1cc2onc(c2cc1)C3CCN(CC3)C | 0.0010 |
| FDBF01705 | 6-fluoro-1,2-benzoxazole |
|
Fc1cc2oncc2cc1 | 0.0010 |
| FDBF03272 | 1-(4-hydroxy-3-methoxy-phenyl)ethanone |
|
O=C(C)c1cc(c(cc1)O)OC | 0.0003 |
| FDBF03273 | 1-(3,4-dimethoxyphenyl)ethanone |
|
COc1c(cc(cc1)C(=O)C)OC | 0.0003 |
