Common name
1-piperidin-1-ylethanone
IUPAC name
1-piperidin-1-ylethanone
SMILES
C(=O)(N1CCCCC1)C
Common name
1-piperidin-1-ylethanone
IUPAC name
1-piperidin-1-ylethanone
SMILES
C(=O)(N1CCCCC1)C
INCHI
InChI=1S/C7H13NO/c1-7(9)8-5-3-2-4-6-8/h2-6H2,1H3
FORMULA
C7H13NO
Common name
1-piperidin-1-ylethanone
IUPAC name
1-piperidin-1-ylethanone
Molecular weight
127.184
clogP
1.222
clogS
-0.900
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_1_1.mol2 | 3g1m | 1 | -7.18 | CC(=O)N1CCCCC1 | 9 |
| 4tw7_ligand_1_11.mol2 | 4tw7 | 1 | -6.85 | C1CCCCN1C(=O)C | 9 |
| 1fpc_ligand_2_20.mol2 | 1fpc | 1 | -6.78 | CC(=O)N1CCC(CC)CC1 | 11 |
| 4tw8_ligand_1_12.mol2 | 4tw8 | 1 | -6.73 | CC(=O)N1CCCCC1 | 9 |
| 1tou_ligand_1_3.mol2 | 1tou | 1 | -6.53 | C(=O)(N1CCCCC1)C | 9 |
103 ,
11
