C153H191N17O9 — CID 159882607
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-1H-indene-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindole-1-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylindole-3-carboxamide;N-ethyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide) (PubChem CID 159882607) has the molecular formula C153H191N17O9 and a molecular weight of 2412.32 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-1H-indene-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindole-1-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylindole-3-carboxamide;N-ethyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide).
| Compound Name | N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-1H-indene-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindole-1-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylindole-3-carboxamide;N-ethyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide) |
|---|---|
| PubChem CID | 159882607 |
| Molecular Formula | C153H191N17O9 |
| Molecular Weight | 2412.32 g/mol |
| Exact Mass | 2410.50 |
| IUPAC Name | N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-1H-indene-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-3H-isoindole-1-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylindole-3-carboxamide;N-ethyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;bis(N-methyl-N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide) |
| SMILES | CCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)C1=NCc2ccccc21.CCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cn(C)c2ccccc12.CCN(CC1CCN(CCc2cccc(OC)c2)CC1)C(=O)C1=Cc2ccccc2C1.CCN(CC1CCN(Cc2cccc(C)c2)CC1)C(=O)c1cc2ccccc2[nH]1.Cc1cccc(CN2CCC(CN(C)C(=O)c3cc4ccccc4[nH]3)CC2)c1.Cc1cccc(CN2CCC(CN(C)C(=O)c3cc4ccccc4[nH]3)CC2)c1 |
| InChI | InChI=1S/C27H35N3O2.C27H34N2O2.C26H33N3O2.C25H31N3O.2C24H29N3O/c1-4-30(27(31)25-20-28(2)26-13-6-5-12-24(25)26)19-22-10-8-15-29(18-22)16-14-21-9-7-11-23(17-21)32-3;1-3-29(27(30)25-18-23-8-4-5-9-24(23)19-25)20-22-12-15-28(16-13-22)14-11-21-7-6-10-26(17-21)31-2;1-3-29(26(30)25-24-12-5-4-10-22(24)17-27-25)19-21-9-7-14-28(18-21)15-13-20-8-6-11-23(16-20)31-2;1-3-28(25(29)24-16-22-9-4-5-10-23(22)26-24)18-20-11-13-27(14-12-20)17-21-8-6-7-19(2)15-21;2*1-18-6-5-7-20(14-18)17-27-12-10-19(11-13-27)16-26(2)24(28)23-15-21-8-3-4-9-22(21)25-23/h5-7,9,11-13,17,20,22H,4,8,10,14-16,18-19H2,1-3H3;4-10,17-18,22H,3,11-16,19-20H2,1-2H3;4-6,8,10-12,16,21H,3,7,9,13-15,17-19H2,1-2H3;4-10,15-16,20,26H,3,11-14,17-18H2,1-2H3;2*3-9,14-15,19,25H,10-13,16-17H2,1-2H3 |
| InChIKey | NTSFXAQDZALGLH-UHFFFAOYSA-N |
| XLogP | 26.61 |
| TPSA | 233.65 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 179 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2412.32 |
| LogP ≤ 5 | 26.61 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 17 |