TL;DR: NIP 121 (CAS 135244-62-1) is a chemical compound with molecular formula C16H19N3O4 and molecular weight 317.13754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(7R,8S)-7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl]piperidin-2-one
Also Known As: NIP 121, NIP 1, 2-Piperidinone, 1-(7,8-dihydro-7-hydroxy-6,6-dimethyl-6H-pyrano(2,3-f)-2,1,3-benzoxadiazol-8-yl)-, trans-(+)-, 7,8-Dihydro-6,6-dimethyl-7-hydroxy-8-(2-oxo-piperidin-1-yl)-6H-pyrano(2,3)benz-2,1,3-oxadiazole, 1-[(7R,8S)-7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl]piperidin-2-one
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H19N3O4 |
| Molecular Weight | 317.13754 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 317.13754 Da |
| Heavy Atoms | 23 |
| Complexity | 486.0 |
| SMILES | CC1([C@@H]([C@H](C2=CC3=NON=C3C=C2O1)N4CCCCC4=O)O)C |
| InChIKey | KMXPHBJUGYLXDM-LSDHHAIUSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NIP 121. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for NIP 121. Following Lipinski's Rule of Five, NIP 121 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of NIP 121 is 135244-62-1.
The molecular formula of NIP 121 is C16H19N3O4.
The molecular weight of NIP 121 is 317.13754 g/mol.
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