C127H210Cl9F3N24O30S6 — CID 160541616
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(3,4-dimethoxyphenyl)-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylpiperazine-1-carbonyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;1-(dimethylsulfamoyl)-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;nonahydrochloride (PubChem CID 160541616) has the molecular formula C127H210Cl9F3N24O30S6 and a molecular weight of 3121.69 g/mol. Its IUPAC name is 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(3,4-dimethoxyphenyl)-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylpiperazine-1-carbonyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;1-(dimethylsulfamoyl)-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;nonahydrochloride.
| Compound Name | 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(3,4-dimethoxyphenyl)-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylpiperazine-1-carbonyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;1-(dimethylsulfamoyl)-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;nonahydrochloride |
|---|---|
| PubChem CID | 160541616 |
| Molecular Formula | C127H210Cl9F3N24O30S6 |
| Molecular Weight | 3121.69 g/mol |
| Exact Mass | 3115.11 |
| IUPAC Name | 4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(3,4-dimethoxyphenyl)-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylpiperazine-1-carbonyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-morpholin-4-ylethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;1-(dimethylsulfamoyl)-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;nonahydrochloride |
| SMILES | CCCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(S(=O)(=O)N(C)C)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)N4CCN(C)CC4)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCCC(F)(F)F)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCN4CCOCC4)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(c4ccc(OC)c(OC)c4)CC3)CC2)cc1.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl |
| InChI | InChI=1S/C28H40N4O7S.C26H42N6O6S.C26H43N5O6S.C24H37F3N4O5S.C23H39N5O6S2.9ClH/c1-4-5-20-39-24-9-6-22(7-10-24)31-16-18-32(19-17-31)40(35,36)28(27(33)29-34)12-14-30(15-13-28)23-8-11-25(37-2)26(21-23)38-3;1-3-4-21-38-23-7-5-22(6-8-23)29-17-19-32(20-18-29)39(36,37)26(24(33)27-35)9-11-30(12-10-26)25(34)31-15-13-28(2)14-16-31;1-2-3-20-37-24-6-4-23(5-7-24)30-14-16-31(17-15-30)38(34,35)26(25(32)27-33)8-10-28(11-9-26)12-13-29-18-21-36-22-19-29;1-2-3-19-36-21-7-5-20(6-8-21)30-15-17-31(18-16-30)37(34,35)23(22(32)28-33)10-13-29(14-11-23)12-4-9-24(25,26)27;1-4-5-6-7-20-8-10-21(11-9-20)26-16-18-27(19-17-26)35(31,32)23(22(29)24-30)12-14-28(15-13-23)36(33,34)25(2)3;;;;;;;;;/h6-11,21,34H,4-5,12-20H2,1-3H3,(H,29,33);5-8,35H,3-4,9-21H2,1-2H3,(H,27,33);4-7,33H,2-3,8-22H2,1H3,(H,27,32);5-8,33H,2-4,9-19H2,1H3,(H,28,32);8-11,30H,4-7,12-19H2,1-3H3,(H,24,29);9*1H |
| InChIKey | GZEUGCVPYSISEL-UHFFFAOYSA-N |
| XLogP | 12.71 |
| TPSA | 594.73 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 199 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3121.69 |
| LogP ≤ 5 | 12.71 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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