IUPAC name
4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILES
COCCCN1CCC(CC1)NC(=O)C1=C2OCCC2=C(N)C(Cl)=C1
Compound class
Alimentary Tract and Metabolism; Drugs for Constipation;
Therapeutic area
Investigated for use/treatment in constipation, ileus, and pediatric indications.
Common name
Prucalopride
IUPAC name
4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILES
COCCCN1CCC(CC1)NC(=O)C1=C2OCCC2=C(N)C(Cl)=C1
INCHI
InChI=1S/C18H26ClN3O3/c1-24-9-2-6-22-7-3-12(4-8-22)21-18(23)14-11-15(19)16(20)13-5-10-25-17(13)14/h11-12H,2-10,20H2,1H3,(H,21,23)
FORMULA
C18H26ClN3O3
Common name
Prucalopride
IUPAC name
4-amino-5-chloro-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide
Molecular weight
367.870
clogP
2.792
clogS
-4.579
HBond Acceptor
4
HBond Donor
3
Total Polar
Surface Area
76.82
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00003 | formamide |
|
C(=O)N | 0.1240 |
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00168 | methoxyethane |
|
CCOC | 0.0254 |
| FDBF00169 | 1-methoxypropane |
|
CCCOC | 0.0062 |
| FDBF00666 | 1-propylpiperidine |
|
C(C)CN1CCCCC1 | 0.0041 |
| FDBF00671 | 1-ethylpiperidine |
|
N1(CCCCC1)CC | 0.0106 |
| FDBF01359 | N-(1-methyl-4-piperidyl)formamide |
|
O=CNC1CCN(CC1)C | 0.0027 |
| FDBF01366 | N-(1-ethyl-4-piperidyl)formamide |
|
CCN1CCC(CC1)NC=O | 0.0024 |
| FDBF01368 | N-(1-propyl-4-piperidyl)formamide |
|
O=CNC1CCN(CC1)CCC | 0.0010 |
| FDBF03484 | 5-chloro-2,3-dihydrobenzofuran-4-amine |
|
Nc1c(ccc2c1CCO2)Cl | 0.0003 |
14 ,
2
