IUPAC name
8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione
SMILES
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1
Compound class
Anti-Anxiety Agents; Hypnotics and Sedatives; Serotonin Receptor Agonists; Nervous System; Anxiolytics; Psycholeptics; Azaspirodecanedione Derivatives; CYP2D6 Inducers; CYP2D6 Inducers (strong); CYP3A4 Inhibitors;
Therapeutic area
For the management of anxiety disorders or the short-term relief of the symptoms of anxiety, and also as an augmention of SSRI-treatment against depression.
Common name
Buspirone
IUPAC name
8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione
SMILES
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)C1=NC=CC=N1
INCHI
InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
FORMULA
C21H31N5O2
Common name
Buspirone
IUPAC name
8-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione
Molecular weight
385.503
clogP
2.204
clogS
-4.133
HBond Acceptor
6
HBond Donor
0
Total Polar Surface Area
69.64
Number of Rings
4
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00067 | butane |
|
CCCC | 0.0680 |
| FDBF01065 | 8-methyl-8-azaspiro[4.5]decane-7,9-dione |
|
CN1C(=O)CC2(CC1=O)CCCC2 | 0.0003 |
| FDBF01066 | 2-piperazin-1-ylpyrimidine |
|
n1c(nccc1)N2CCNCC2 | 0.0003 |
| FDBF01067 | 8-ethyl-8-azaspiro[4.5]decane-7,9-dione |
|
C(N1C(=O)CC2(CC1=O)CCCC2)C | 0.0003 |
| FDBF01069 | 8-propyl-8-azaspiro[4.5]decane-7,9-dione |
|
C(N1C(=O)CC2(CC1=O)CCCC2)CC | 0.0003 |
