C198H308F3N15O11S — CID 157306343
1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;4-[(3-tert-butylphenyl)methyl]oxane;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 157306343) has the molecular formula C198H308F3N15O11S and a molecular weight of 3163.80 g/mol. Its IUPAC name is 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;4-[(3-tert-butylphenyl)methyl]oxane;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone.
| Compound Name | 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;4-[(3-tert-butylphenyl)methyl]oxane;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone |
|---|---|
| PubChem CID | 157306343 |
| Molecular Formula | C198H308F3N15O11S |
| Molecular Weight | 3163.80 g/mol |
| Exact Mass | 3161.37 |
| IUPAC Name | 1-[4-(3-tert-butylanilino)piperidin-1-yl]ethanone;3-(3-tert-butylphenoxy)pyrrolidine;4-(4-tert-butylphenoxy)-1-(2,2,2-trifluoroethyl)piperidine;4-(3-tert-butylphenyl)-N,N-dimethylbutanamide;1-[(3-tert-butylphenyl)methyl]-4-(2-methoxyethyl)piperazine;[1-[(3-tert-butylphenyl)methyl]-4-methylpiperazin-2-yl]methanol;4-[(3-tert-butylphenyl)methyl]-1-methylpiperidine;3-[(3-tert-butylphenyl)methyl]-1-methylpyrrolidine;3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;4-[(3-tert-butylphenyl)methyl]oxane;2-[4-[(3-tert-butylphenyl)methyl]piperazin-1-yl]ethanol;1-[3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone |
| SMILES | CC(=O)N1CCC(Cc2cccc(C(C)(C)C)c2)C1.CC(=O)N1CCC(Nc2cccc(C(C)(C)C)c2)CC1.CC(C)(C)c1ccc(OC2CCN(CC(F)(F)F)CC2)cc1.CC(C)(C)c1cccc(CC2CCN(S(C)(=O)=O)C2)c1.CC(C)(C)c1cccc(CC2CCOCC2)c1.CC(C)(C)c1cccc(CN2CCN(CCO)CC2)c1.CC(C)(C)c1cccc(OC2CCNC2)c1.CN(C)C(=O)CCCc1cccc(C(C)(C)C)c1.CN1CCC(Cc2cccc(C(C)(C)C)c2)C1.CN1CCC(Cc2cccc(C(C)(C)C)c2)CC1.CN1CCN(Cc2cccc(C(C)(C)C)c2)C(CO)C1.COCCN1CCN(Cc2cccc(C(C)(C)C)c2)CC1 |
| InChI | InChI=1S/C18H30N2O.C17H24F3NO.C17H26N2O.2C17H28N2O.C17H25NO.C17H27N.C16H25NO2S.C16H25NO.C16H25N.C16H24O.C14H21NO/c1-18(2,3)17-7-5-6-16(14-17)15-20-10-8-19(9-11-20)12-13-21-4;1-16(2,3)13-4-6-14(7-5-13)22-15-8-10-21(11-9-15)12-17(18,19)20;1-13(20)19-10-8-15(9-11-19)18-16-7-5-6-14(12-16)17(2,3)4;1-17(2,3)15-7-5-6-14(10-15)11-19-9-8-18(4)12-16(19)13-20;1-17(2,3)16-6-4-5-15(13-16)14-19-9-7-18(8-10-19)11-12-20;1-13(19)18-9-8-15(12-18)10-14-6-5-7-16(11-14)17(2,3)4;1-17(2,3)16-7-5-6-15(13-16)12-14-8-10-18(4)11-9-14;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(12-14)20(4,18)19;1-16(2,3)14-10-6-8-13(12-14)9-7-11-15(18)17(4)5;1-16(2,3)15-7-5-6-13(11-15)10-14-8-9-17(4)12-14;1-16(2,3)15-6-4-5-14(12-15)11-13-7-9-17-10-8-13;1-14(2,3)11-5-4-6-12(9-11)16-13-7-8-15-10-13/h5-7,14H,8-13,15H2,1-4H3;4-7,15H,8-12H2,1-3H3;5-7,12,15,18H,8-11H2,1-4H3;5-7,10,16,20H,8-9,11-13H2,1-4H3;4-6,13,20H,7-12,14H2,1-3H3;5-7,11,15H,8-10,12H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-7,11,14H,8-10,12H2,1-4H3;6,8,10,12H,7,9,11H2,1-5H3;5-7,11,14H,8-10,12H2,1-4H3;4-6,12-13H,7-11H2,1-3H3;4-6,9,13,15H,7-8,10H2,1-3H3 |
| InChIKey | BCNDKNQMMRYQFA-UHFFFAOYSA-N |
| XLogP | 38.35 |
| TPSA | 228.91 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3163.80 |
| LogP ≤ 5 | 38.35 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 22 |