C189H277N35O15S7 — CID 160872191
N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(piperidin-2-ylmethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-propanoylpiperidin-2-yl)methyl]piperazine-1-carboxamide;N-[4-(5-cyclopentyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-propylphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(5-ethyl-2-propoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 160872191) has the molecular formula C189H277N35O15S7 and a molecular weight of 3503.99 g/mol. Its IUPAC name is N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(piperidin-2-ylmethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-propanoylpiperidin-2-yl)methyl]piperazine-1-carboxamide;N-[4-(5-cyclopentyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-propylphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(5-ethyl-2-propoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide.
| Compound Name | N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(piperidin-2-ylmethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-propanoylpiperidin-2-yl)methyl]piperazine-1-carboxamide;N-[4-(5-cyclopentyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-propylphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(5-ethyl-2-propoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide |
|---|---|
| PubChem CID | 160872191 |
| Molecular Formula | C189H277N35O15S7 |
| Molecular Weight | 3503.99 g/mol |
| Exact Mass | 3501.00 |
| IUPAC Name | N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-2-yl)methyl]piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(piperidin-2-ylmethyl)piperazine-1-carboxamide;N-[4-(5-cyclohexyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-propanoylpiperidin-2-yl)methyl]piperazine-1-carboxamide;N-[4-(5-cyclopentyl-2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[[(3R)-1-methylpiperidin-3-yl]methyl]piperazine-1-carboxamide;N-[4-(2-ethoxy-5-propylphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide;N-[4-(5-ethyl-2-propoxyphenyl)-1,3-thiazol-2-yl]-4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carboxamide |
| SMILES | CCC(=O)N1CCCCC1CN1CCN(C(=O)Nc2nc(-c3cc(C4CCCCC4)ccc3OC)cs2)CC1.CCCOc1ccc(CC)cc1-c1csc(NC(=O)N2CCN(CC3CCCN(C)C3)CC2)n1.CCCc1ccc(OCC)c(-c2csc(NC(=O)N3CCN(CC4CCCN(C)C4)CC3)n2)c1.CCOc1ccc(C2CCCC2)cc1-c1csc(NC(=O)N2CCN(C[C@@H]3CCCN(C)C3)CC2)n1.CCc1ccc(OC)c(-c2csc(NC(=O)N3CCN(CC4CCCN(C)C4)CC3)n2)c1.COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)N2CCN(CC3CCCCN3)CC2)n1.COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)N2CCN(CC3CCCCN3C)CC2)n1 |
| InChI | InChI=1S/C30H43N5O3S.2C28H41N5O2S.C27H39N5O2S.2C26H39N5O2S.C24H35N5O2S/c1-3-28(36)35-14-8-7-11-24(35)20-33-15-17-34(18-16-33)30(37)32-29-31-26(21-39-29)25-19-23(12-13-27(25)38-2)22-9-5-4-6-10-22;1-31-13-7-6-10-23(31)19-32-14-16-33(17-15-32)28(34)30-27-29-25(20-36-27)24-18-22(11-12-26(24)35-2)21-8-4-3-5-9-21;1-3-35-26-11-10-23(22-8-4-5-9-22)17-24(26)25-20-36-27(29-25)30-28(34)33-15-13-32(14-16-33)19-21-7-6-12-31(2)18-21;1-34-25-11-10-21(20-7-3-2-4-8-20)17-23(25)24-19-35-26(29-24)30-27(33)32-15-13-31(14-16-32)18-22-9-5-6-12-28-22;1-4-15-33-24-9-8-20(5-2)16-22(24)23-19-34-25(27-23)28-26(32)31-13-11-30(12-14-31)18-21-7-6-10-29(3)17-21;1-4-7-20-9-10-24(33-5-2)22(16-20)23-19-34-25(27-23)28-26(32)31-14-12-30(13-15-31)18-21-8-6-11-29(3)17-21;1-4-18-7-8-22(31-3)20(14-18)21-17-32-23(25-21)26-24(30)29-12-10-28(11-13-29)16-19-6-5-9-27(2)15-19/h12-13,19,21-22,24H,3-11,14-18,20H2,1-2H3,(H,31,32,37);11-12,18,20-21,23H,3-10,13-17,19H2,1-2H3,(H,29,30,34);10-11,17,20-22H,3-9,12-16,18-19H2,1-2H3,(H,29,30,34);10-11,17,19-20,22,28H,2-9,12-16,18H2,1H3,(H,29,30,33);8-9,16,19,21H,4-7,10-15,17-18H2,1-3H3,(H,27,28,32);9-10,16,19,21H,4-8,11-15,17-18H2,1-3H3,(H,27,28,32);7-8,14,17,19H,4-6,9-13,15-16H2,1-3H3,(H,25,26,30)/t;;21-;;;;/m..1..../s1 |
| InChIKey | SLXAMHCQWUKRSA-IVHOQCKQSA-N |
| XLogP | 35.00 |
| TPSA | 452.44 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 246 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3503.99 |
| LogP ≤ 5 | 35.00 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 42 |