1-(4-Nitrophenylsulfonyl)-4-(piperidin-1-yl)piperidine
PubChem CID: 24744900
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| Compound Synonyms | CHEMBL404624, Tyrosinase Inhibitor, 8, BDBM85773, BDBM50218207, 1-(4-nitrophenylsulfonyl)-4-(piperidin-1-yl)piperidine |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 521.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O42713 |
| Iupac Name | 1-(4-nitrophenyl)sulfonyl-4-piperidin-1-ylpiperidine |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C16H23N3O4S |
| Prediction Swissadme | 1.0 |
| Inchi Key | KKFHWGFGCRMBFE-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Logs | -3.944 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.769 |
| Compound Name | 1-(4-Nitrophenylsulfonyl)-4-(piperidin-1-yl)piperidine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 353.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 353.141 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 353.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.426552800000001 |
| Inchi | InChI=1S/C16H23N3O4S/c20-19(21)15-4-6-16(7-5-15)24(22,23)18-12-8-14(9-13-18)17-10-2-1-3-11-17/h4-7,14H,1-3,8-13H2 |
| Smiles | C1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lablab Niger (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all