Common name
piperidine-1-carbaldehyde
IUPAC name
piperidine-1-carbaldehyde
SMILES
C(=O)N1CCCCC1
Common name
piperidine-1-carbaldehyde
IUPAC name
piperidine-1-carbaldehyde
SMILES
C(=O)N1CCCCC1
INCHI
InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2
FORMULA
C6H11NO
Common name
piperidine-1-carbaldehyde
IUPAC name
piperidine-1-carbaldehyde
Molecular weight
113.158
clogP
1.103
clogS
-0.494
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
1
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03185 | oxathiapiprolin |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3g1m_ligand_frag_2.mol2 | 3g1m | 1 | -6.75 | C(=O)N1CCCCC1 | 8 |
| 4tw7_ligand_frag_11.mol2 | 4tw7 | 1 | -6.55 | C1CCCCN1C=O | 8 |
| 2xdw_ligand_frag_3.mol2 | 2xdw | 1 | -6.53 | C(=O)N1CCCCC1 | 8 |
| 4tw8_ligand_frag_12.mol2 | 4tw8 | 1 | -6.45 | C1CCCCN1C=O | 8 |
| 3iw7_ligand_frag_0.mol2 | 3iw7 | 1 | -6.44 | O=CN1CCCCC1 | 8 |
| 2wap_ligand_frag_0.mol2 | 2wap | 1 | -6.43 | O=CN1CCCCC1 | 8 |
142 ,
15
