C179H221Cl2F2N21O12 — CID 159721700
5-chloro-N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-ethyl-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide;N-ethyl-7-fluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-6-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-6-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 159721700) has the molecular formula C179H221Cl2F2N21O12 and a molecular weight of 2967.77 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-ethyl-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide;N-ethyl-7-fluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-6-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-6-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide.
| Compound Name | 5-chloro-N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-ethyl-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide;N-ethyl-7-fluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-6-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-6-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide |
|---|---|
| PubChem CID | 159721700 |
| Molecular Formula | C179H221Cl2F2N21O12 |
| Molecular Weight | 2967.77 g/mol |
| Exact Mass | 2964.67 |
| IUPAC Name | 5-chloro-N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;5-chloro-N-ethyl-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-ethylphenyl)methyl]piperidin-3-yl]methyl]-7-fluoro-1H-indole-2-carboxamide;N-ethyl-7-fluoro-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-6-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-6-methoxy-N-[[1-[(4-methylphenyl)methyl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-6-methyl-1H-indole-2-carboxamide |
| SMILES | CCN(CC1CCCN(Cc2ccc(C)cc2)C1)C(=O)c1cc2cc(Cl)ccc2[nH]1.CCN(CC1CCCN(Cc2ccc(C)cc2)C1)C(=O)c1cc2ccc(OC)cc2[nH]1.CCN(CC1CCCN(Cc2ccc(C)cc2)C1)C(=O)c1cc2cccc(F)c2[nH]1.CCN(CC1CCCN(Cc2ccc(OC)cc2)C1)C(=O)c1cc2cc(Cl)ccc2[nH]1.CCN(CC1CCCN(Cc2ccc(OC)cc2)C1)C(=O)c1cc2ccc(C)cc2[nH]1.CCN(CC1CCCN(Cc2ccc(OC)cc2)C1)C(=O)c1cc2ccc(OC)cc2[nH]1.CCc1ccc(CN2CCCC(CN(CC)C(=O)c3cc4cccc(F)c4[nH]3)C2)cc1 |
| InChI | InChI=1S/C26H32FN3O.C26H33N3O3.2C26H33N3O2.C25H30ClN3O2.C25H30ClN3O.C25H30FN3O/c1-3-19-10-12-20(13-11-19)16-29-14-6-7-21(17-29)18-30(4-2)26(31)24-15-22-8-5-9-23(27)25(22)28-24;1-4-29(26(30)25-14-21-9-12-23(32-3)15-24(21)27-25)18-20-6-5-13-28(17-20)16-19-7-10-22(31-2)11-8-19;1-4-29(26(30)25-15-22-10-7-19(2)14-24(22)27-25)18-21-6-5-13-28(17-21)16-20-8-11-23(31-3)12-9-20;1-4-29(26(30)25-14-22-11-12-23(31-3)15-24(22)27-25)18-21-6-5-13-28(17-21)16-20-9-7-19(2)8-10-20;1-3-29(25(30)24-14-20-13-21(26)8-11-23(20)27-24)17-19-5-4-12-28(16-19)15-18-6-9-22(31-2)10-7-18;1-3-29(25(30)24-14-21-13-22(26)10-11-23(21)27-24)17-20-5-4-12-28(16-20)15-19-8-6-18(2)7-9-19;1-3-29(25(30)23-14-21-7-4-8-22(26)24(21)27-23)17-20-6-5-13-28(16-20)15-19-11-9-18(2)10-12-19/h5,8-13,15,21,28H,3-4,6-7,14,16-18H2,1-2H3;7-12,14-15,20,27H,4-6,13,16-18H2,1-3H3;2*7-12,14-15,21,27H,4-6,13,16-18H2,1-3H3;6-11,13-14,19,27H,3-5,12,15-17H2,1-2H3;6-11,13-14,20,27H,3-5,12,15-17H2,1-2H3;4,7-12,14,20,27H,3,5-6,13,15-17H2,1-2H3 |
| InChIKey | NACUKKKAEPDZHM-UHFFFAOYSA-N |
| XLogP | 35.22 |
| TPSA | 321.53 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 216 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2967.77 |
| LogP ≤ 5 | 35.22 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 19 |