Common name
piperidine
IUPAC name
piperidine
SMILES
N1CCCCC1
Common name
piperidine
IUPAC name
piperidine
SMILES
N1CCCCC1
INCHI
InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
FORMULA
C5H11N
Common name
piperidine
IUPAC name
piperidine
Molecular weight
85.148
clogP
1.751
clogS
-1.211
Frequency
0.0199
HBond Acceptor
0
HBond Donor
1
Total PolarSurface Area
12.03
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01619 | Cloperastine |
|
Cough and Cold Preparations; Respiratory System; | |
| FDBD01620 | Clocapramine |
|
; | |
| FDBD01651 | Ceritinib |
|
Antineoplastic Agents; Protein Kinase Inhibitors; Antineoplastic and Immunomodulating Agents; | Ceritinib is a kinase inhibitor indicated for the treatment of patients with anaplastic lymphoma kinase (ALK)-positive metastatic non-small cell lung cancer (NSCLC) who have progressed on or are intolerant to crizotinib. This indication is approved under accelerated approval based on tumor response rate and duration of response. An improvement in survival or disease-related symptoms has not been established. Continued approval for this indication may be contingent upon verification and description of clinical benefit in confirmatory trials. |
| FDBD01757 | Benidipine |
|
Calcium Channel Blockers; Cardiovascular System; Dihydropyridine Derivatives; Selective Calcium Channel Blockers With Mainly Vascular Effects; | For the treatment of hypertension. |
| FDBD01784 | Pipamperone |
|
Antipsychotic Agents; Nervous System; Psycholeptics; Butyrophenone Derivatives; | Used in the treatment of schizophrenia. |
| FDBD01832 | Alectinib |
|
; | Alectinib is a kinase inhibitor indicated for the treatment of patients with anaplastic lymphoma kinase (ALK)-positive, metastatic non-small cell lung cancer (NSCLC) who have progressed on or are intolerant to crizotinib. This indication is approved under accelerated approval based on tumor response rate and duration of response. Continued approval for this indication may be contingent upon verification and description of clinical benefit in confirmatory trials. |
| FDBD01846 | anabasine |
|
Insecticide | Insecticide |
| FDBD03250 | fenpropidin |
|
Fungicide | Fungicide |
58 ,
6
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2iog_ligand_frag_11.mol2 | 2iog | 1 | -6.32 | [NH2+]1CCCCC1 | 6 |
| 3juo_ligand_frag_1.mol2 | 3juo | 1 | -6.31 | C1C[NH2+]CCC1 | 6 |
| 3juq_ligand_frag_1.mol2 | 3juq | 1 | -6.31 | C1C[NH2+]CCC1 | 6 |
| 3jup_ligand_frag_1.mol2 | 3jup | 1 | -6.30 | C1C[NH2+]CCC1 | 6 |
| 1b8y_ligand_frag_1.mol2 | 1b8y | 1 | -6.28 | C1CCC[NH2+]C1 | 6 |
| 1ciz_ligand_frag_0.mol2 | 1ciz | 1 | -6.28 | [NH2+]1CCCCC1 | 6 |
| 4ow0_ligand_frag_3.mol2 | 4ow0 | 1 | -6.27 | C1CC[NH2+]CC1 | 6 |
| 1caq_ligand_frag_0.mol2 | 1caq | 1 | -6.26 | [NH2+]1CCCCC1 | 6 |
| 4mm4_ligand_frag_2.mol2 | 4mm4 | 1 | -6.26 | C1CCCC[NH2+]1 | 6 |
301 ,
31
