C119H149F3LiN11O17 — CID 159239830
lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;cyclopropane;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide (PubChem CID 159239830) has the molecular formula C119H149F3LiN11O17 and a molecular weight of 2070.50 g/mol. Its IUPAC name is lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;cyclopropane;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide.
| Compound Name | lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;cyclopropane;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide |
|---|---|
| PubChem CID | 159239830 |
| Molecular Formula | C119H149F3LiN11O17 |
| Molecular Weight | 2070.50 g/mol |
| Exact Mass | 2069.13 |
| IUPAC Name | lithium;5-acetylpyridine-2-carboxylic acid;1-(5-acetyl-2-pyridinyl)-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;cyclopropane;deuterio(fluoro)methane;1-[5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]-2-pyridinyl]-2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]ethanone;(4-fluorophenyl)-piperidin-4-ylmethanone;1-[(4-methoxyphenyl)methyl]piperidin-4-amine;6-[2-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]acetyl]pyridine-3-carboxylic acid;hydroxide |
| SMILES | C1CC1.C1CC1.C1CC1.CC(=O)c1ccc(C(=O)O)nc1.COc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)N4CCC(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1.COc1ccc(CN2CCC(CC(=O)c3ccc(C(=O)O)cn3)CC2)cc1.COc1ccc(CN2CCC(CC(=O)c3ccc(C(C)=O)cn3)CC2)cc1.COc1ccc(CN2CCC(N)CC2)cc1.O=C(c1ccc(F)cc1)C1CCNCC1.[2H]CF.[Li+].[OH-] |
| InChI | InChI=1S/C33H36FN3O4.C22H26N2O3.C21H24N2O4.C13H20N2O.C12H14FNO.C8H7NO3.3C3H6.CH3F.Li.H2O/c1-41-29-9-2-24(3-10-29)22-36-16-12-23(13-17-36)20-31(38)30-11-6-27(21-35-30)33(40)37-18-14-26(15-19-37)32(39)25-4-7-28(34)8-5-25;1-16(25)19-5-8-21(23-14-19)22(26)13-17-9-11-24(12-10-17)15-18-3-6-20(27-2)7-4-18;1-27-18-5-2-16(3-6-18)14-23-10-8-15(9-11-23)12-20(24)19-7-4-17(13-22-19)21(25)26;1-16-13-4-2-11(3-5-13)10-15-8-6-12(14)7-9-15;13-11-3-1-9(2-4-11)12(15)10-5-7-14-8-6-10;1-5(10)6-2-3-7(8(11)12)9-4-6;3*1-2-3-1;1-2;;/h2-11,21,23,26H,12-20,22H2,1H3;3-8,14,17H,9-13,15H2,1-2H3;2-7,13,15H,8-12,14H2,1H3,(H,25,26);2-5,12H,6-10,14H2,1H3;1-4,10,14H,5-8H2;2-4H,1H3,(H,11,12);3*1-3H2;1H3;;1H2/q;;;;;;;;;;+1;/p-1/i;;;;;;;;;1D;; |
| InChIKey | KTYBNYPLSMQRQH-RBDUOZFWSA-M |
| XLogP | 18.03 |
| TPSA | 383.89 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 151 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2070.50 |
| LogP ≤ 5 | 18.03 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 25 |