C175H188Cl10F18N16O17 — CID 158203479
(3-chloro-4-fluorophenyl)-[4-[4-[(5-chloro-2-pyridinyl)oxy]butyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[4-[(3-methoxy-2-pyridinyl)oxy]butyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[4-[(5-methyl-2-pyridinyl)oxy]butyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-(4-pyridin-2-yloxybutyl)piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-(4-pyridin-3-yloxybutyl)piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-(4-pyridin-4-yloxybutyl)piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]butyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone (PubChem CID 158203479) has the molecular formula C175H188Cl10F18N16O17 and a molecular weight of 3484.02 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[4-[4-[(5-chloro-2-pyridinyl)oxy]butyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[4-[(3-methoxy-2-pyridinyl)oxy]butyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[4-[(5-methyl-2-pyridinyl)oxy]butyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-(4-pyridin-2-yloxybutyl)piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-(4-pyridin-3-yloxybutyl)piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-(4-pyridin-4-yloxybutyl)piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]butyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone.
| Compound Name | (3-chloro-4-fluorophenyl)-[4-[4-[(5-chloro-2-pyridinyl)oxy]butyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[4-[(3-methoxy-2-pyridinyl)oxy]butyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[4-[(5-methyl-2-pyridinyl)oxy]butyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-(4-pyridin-2-yloxybutyl)piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-(4-pyridin-3-yloxybutyl)piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-(4-pyridin-4-yloxybutyl)piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]butyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone |
|---|---|
| PubChem CID | 158203479 |
| Molecular Formula | C175H188Cl10F18N16O17 |
| Molecular Weight | 3484.02 g/mol |
| Exact Mass | 3477.09 |
| IUPAC Name | (3-chloro-4-fluorophenyl)-[4-[4-[(5-chloro-2-pyridinyl)oxy]butyl]-4-fluoropiperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[4-[(3-methoxy-2-pyridinyl)oxy]butyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[4-[(5-methyl-2-pyridinyl)oxy]butyl]piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-(4-pyridin-2-yloxybutyl)piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-(4-pyridin-3-yloxybutyl)piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-(4-pyridin-4-yloxybutyl)piperidin-1-yl]methanone;(3-chloro-4-fluorophenyl)-[4-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]butyl]piperidin-1-yl]methanone;(3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone |
| SMILES | COc1cccnc1OCCCCC1(F)CCN(C(=O)c2ccc(F)c(Cl)c2)CC1.Cc1ccc(OCCCCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1.O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CCCCOc2cccc3cccnc23)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CCCCOc2cc(C(F)(F)F)ccn2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CCCCOc2ccc(Cl)cn2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CCCCOc2ccccn2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CCCCOc2cccnc2)CC1.O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CCCCOc2ccncc2)CC1 |
| InChI | InChI=1S/C25H25Cl2FN2O2.C22H22ClF5N2O2.C22H25ClF2N2O3.C22H25ClF2N2O2.C21H22Cl2F2N2O2.3C21H23ClF2N2O2/c26-20-9-8-19(17-21(20)27)24(31)30-14-11-25(28,12-15-30)10-1-2-16-32-22-7-3-5-18-6-4-13-29-23(18)22;23-17-13-15(3-4-18(17)24)20(31)30-10-7-21(25,8-11-30)6-1-2-12-32-19-14-16(5-9-29-19)22(26,27)28;1-29-19-5-4-11-26-20(19)30-14-3-2-8-22(25)9-12-27(13-10-22)21(28)16-6-7-18(24)17(23)15-16;1-16-4-7-20(26-15-16)29-13-3-2-8-22(25)9-11-27(12-10-22)21(28)17-5-6-19(24)18(23)14-17;22-16-4-6-19(26-14-16)29-12-2-1-7-21(25)8-10-27(11-9-21)20(28)15-3-5-18(24)17(23)13-15;22-17-15-16(6-7-18(17)23)20(27)26-12-9-21(24,10-13-26)8-2-4-14-28-19-5-1-3-11-25-19;22-18-15-16(3-4-19(18)23)20(27)26-12-8-21(24,9-13-26)7-1-2-14-28-17-5-10-25-11-6-17;22-18-14-16(5-6-19(18)23)20(27)26-11-8-21(24,9-12-26)7-1-2-13-28-17-4-3-10-25-15-17/h3-9,13,17H,1-2,10-12,14-16H2;3-5,9,13-14H,1-2,6-8,10-12H2;4-7,11,15H,2-3,8-10,12-14H2,1H3;4-7,14-15H,2-3,8-13H2,1H3;3-6,13-14H,1-2,7-12H2;1,3,5-7,11,15H,2,4,8-10,12-14H2;3-6,10-11,15H,1-2,7-9,12-14H2;3-6,10,14-15H,1-2,7-9,11-13H2 |
| InChIKey | GBFHRMXDBRFLKY-UHFFFAOYSA-N |
| XLogP | 44.20 |
| TPSA | 348.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 57 |
| Heavy Atoms | 236 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3484.02 |
| LogP ≤ 5 | 44.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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