C146H251Cl12FN24O31S6 — CID 159759034
4-[4-[4-(cyclobutylmethyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-[4-(cyclohexylmethyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-[4-(2-ethylbutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylbutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylpentyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;dodecahydrochloride (PubChem CID 159759034) has the molecular formula C146H251Cl12FN24O31S6 and a molecular weight of 3475.59 g/mol. Its IUPAC name is 4-[4-[4-(cyclobutylmethyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-[4-(cyclohexylmethyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-[4-(2-ethylbutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylbutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylpentyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;dodecahydrochloride.
| Compound Name | 4-[4-[4-(cyclobutylmethyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-[4-(cyclohexylmethyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-[4-(2-ethylbutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylbutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylpentyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;dodecahydrochloride |
|---|---|
| PubChem CID | 159759034 |
| Molecular Formula | C146H251Cl12FN24O31S6 |
| Molecular Weight | 3475.59 g/mol |
| Exact Mass | 3467.34 |
| IUPAC Name | 4-[4-[4-(cyclobutylmethyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-[4-(cyclohexylmethyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-[4-(2-ethylbutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylbutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylpentyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;dodecahydrochloride |
| SMILES | CCC(C)Cc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1.CCC(CC)Cc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1.CCCC(C)Cc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1.CCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1F.COCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCN(c3ccc(CC4CCC4)cc3)CC2)CC1.COCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCN(c3ccc(CC4CCCCC4)cc3)CC2)CC1.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl |
| InChI | InChI=1S/C26H42N4O5S.2C25H42N4O5S.C24H38N4O5S.C24H40N4O5S.C22H35FN4O6S.12ClH/c1-35-20-19-28-13-11-26(12-14-28,25(31)27-32)36(33,34)30-17-15-29(16-18-30)24-9-7-23(8-10-24)21-22-5-3-2-4-6-22;1-4-5-21(2)20-22-6-8-23(9-7-22)28-14-16-29(17-15-28)35(32,33)25(24(30)26-31)10-12-27(13-11-25)18-19-34-3;1-4-21(5-2)20-22-6-8-23(9-7-22)28-14-16-29(17-15-28)35(32,33)25(24(30)26-31)10-12-27(13-11-25)18-19-34-3;1-33-18-17-26-11-9-24(10-12-26,23(29)25-30)34(31,32)28-15-13-27(14-16-28)22-7-5-21(6-8-22)19-20-3-2-4-20;1-4-20(2)19-21-5-7-22(8-6-21)27-13-15-28(16-14-27)34(31,32)24(23(29)25-30)9-11-26(12-10-24)17-18-33-3;1-3-15-33-20-5-4-18(17-19(20)23)26-10-12-27(13-11-26)34(30,31)22(21(28)24-29)6-8-25(9-7-22)14-16-32-2;;;;;;;;;;;;/h7-10,22,32H,2-6,11-21H2,1H3,(H,27,31);2*6-9,21,31H,4-5,10-20H2,1-3H3,(H,26,30);5-8,20,30H,2-4,9-19H2,1H3,(H,25,29);5-8,20,30H,4,9-19H2,1-3H3,(H,25,29);4-5,17,29H,3,6-16H2,1-2H3,(H,24,28);12*1H |
| InChIKey | ZEQABPQRGRXVFM-UHFFFAOYSA-N |
| XLogP | 15.75 |
| TPSA | 623.75 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 220 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3475.59 |
| LogP ≤ 5 | 15.75 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 43 |
| Structural Alerts | {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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