Common name
1-(4-acetylpiperazin-1-yl)ethanone
IUPAC name
1-(4-acetylpiperazin-1-yl)ethanone
SMILES
CC(=O)N1CCN(CC1)C(=O)C
Common name
1-(4-acetylpiperazin-1-yl)ethanone
IUPAC name
1-(4-acetylpiperazin-1-yl)ethanone
SMILES
CC(=O)N1CCN(CC1)C(=O)C
INCHI
InChI=1S/C8H14N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H2,1-2H3
FORMULA
C8H14N2O2
Common name
1-(4-acetylpiperazin-1-yl)ethanone
IUPAC name
1-(4-acetylpiperazin-1-yl)ethanone
Molecular weight
170.209
clogP
0.061
clogS
-0.328
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
40.62
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00124 | Pipobroman |
|
Antineoplastic Agents; Antineoplastic Agents, Alkylating; Alkylating Agents; Antineoplastic and Immunomodulating Agents; | For the treatment of polycythaemia vera and refractory chronic myeloid leukaemia. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1w7g_ligand_3_94.mol2 | 1w7g | 1 | -6.34 | CC[NH+]1CCN(C(=O)C)CC1 | 11 |
| 4qtb_ligand_1_4.mol2 | 4qtb | 1 | -6.24 | C(=O)(N1CC[NH2+]CC1)C | 9 |
| 4qta_ligand_1_4.mol2 | 4qta | 1 | -6.21 | CC(=O)N1CC[NH2+]CC1 | 9 |
| 4qyy_ligand_1_5.mol2 | 4qyy | 1 | -6.21 | CC(=O)N1CC[NH2+]CC1 | 9 |
| 4wpf_ligand_frag_1.mol2 | 4wpf | 1 | -6.05 | C1C[NH2+]CCN1C(=O)C | 9 |
| 4o9s_ligand_1_2.mol2 | 4o9s | 1 | -6.00 | C(=O)(N1CC[NH2+]CC1)C | 9 |
| 1w7g_ligand_2_21.mol2 | 1w7g | 1 | -5.99 | CC(=O)N1CC[NH+](CC1)C | 10 |
| 4loy_ligand_1_2.mol2 | 4loy | 1 | -5.96 | CC(=O)N1CC[NH+](CC1)C | 10 |
435 ,
44
