C154H200N14O10S — CID 159303423
N-ethyl-N-[[1-[2-(3-ethylphenyl)ethyl]piperidin-3-yl]methyl]cyclopenta-1,3-diene-1-carboxamide;N-ethyl-N-[[1-[2-(3-ethylphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-3-carboxamide;N-ethyl-N-[[1-[2-(3-ethylphenyl)ethyl]piperidin-3-yl]methyl]-3H-indole-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-3-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 159303423) has the molecular formula C154H200N14O10S and a molecular weight of 2439.45 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-(3-ethylphenyl)ethyl]piperidin-3-yl]methyl]cyclopenta-1,3-diene-1-carboxamide;N-ethyl-N-[[1-[2-(3-ethylphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-3-carboxamide;N-ethyl-N-[[1-[2-(3-ethylphenyl)ethyl]piperidin-3-yl]methyl]-3H-indole-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-3-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzothiophene-2-carboxamide.
| Compound Name | N-ethyl-N-[[1-[2-(3-ethylphenyl)ethyl]piperidin-3-yl]methyl]cyclopenta-1,3-diene-1-carboxamide;N-ethyl-N-[[1-[2-(3-ethylphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-3-carboxamide;N-ethyl-N-[[1-[2-(3-ethylphenyl)ethyl]piperidin-3-yl]methyl]-3H-indole-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-3-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzothiophene-2-carboxamide |
|---|---|
| PubChem CID | 159303423 |
| Molecular Formula | C154H200N14O10S |
| Molecular Weight | 2439.45 g/mol |
| Exact Mass | 2437.53 |
| IUPAC Name | N-ethyl-N-[[1-[2-(3-ethylphenyl)ethyl]piperidin-3-yl]methyl]cyclopenta-1,3-diene-1-carboxamide;N-ethyl-N-[[1-[2-(3-ethylphenyl)ethyl]piperidin-3-yl]methyl]-1H-indole-3-carboxamide;N-ethyl-N-[[1-[2-(3-ethylphenyl)ethyl]piperidin-3-yl]methyl]-3H-indole-2-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-3-carboxamide;N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-benzothiophene-2-carboxamide |
| SMILES | CCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1cc2ccccc2s1.CCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccccc1.CCN(CC1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1coc2ccccc12.CCc1cccc(CCN2CCCC(CN(CC)C(=O)C3=CC=CC3)C2)c1.CCc1cccc(CCN2CCCC(CN(CC)C(=O)C3=Nc4ccccc4C3)C2)c1.CCc1cccc(CCN2CCCC(CN(CC)C(=O)c3c[nH]c4ccccc34)C2)c1 |
| InChI | InChI=1S/2C27H35N3O.C26H32N2O3.C26H32N2O2S.C24H32N2O2.C24H34N2O/c1-3-21-9-7-10-22(17-21)14-16-29-15-8-11-23(19-29)20-30(4-2)27(31)25-18-28-26-13-6-5-12-24(25)26;1-3-21-9-7-10-22(17-21)14-16-29-15-8-11-23(19-29)20-30(4-2)27(31)26-18-24-12-5-6-13-25(24)28-26;1-3-28(26(29)24-19-31-25-12-5-4-11-23(24)25)18-21-9-7-14-27(17-21)15-13-20-8-6-10-22(16-20)30-2;1-3-28(26(29)25-17-22-10-4-5-12-24(22)31-25)19-21-9-7-14-27(18-21)15-13-20-8-6-11-23(16-20)30-2;1-3-26(24(27)22-11-5-4-6-12-22)19-21-10-8-15-25(18-21)16-14-20-9-7-13-23(17-20)28-2;1-3-20-9-7-10-21(17-20)14-16-25-15-8-11-22(18-25)19-26(4-2)24(27)23-12-5-6-13-23/h5-7,9-10,12-13,17-18,23,28H,3-4,8,11,14-16,19-20H2,1-2H3;5-7,9-10,12-13,17,23H,3-4,8,11,14-16,18-20H2,1-2H3;4-6,8,10-12,16,19,21H,3,7,9,13-15,17-18H2,1-2H3;4-6,8,10-12,16-17,21H,3,7,9,13-15,18-19H2,1-2H3;4-7,9,11-13,17,21H,3,8,10,14-16,18-19H2,1-2H3;5-7,9-10,12,17,22H,3-4,8,11,13-16,18-19H2,1-2H3 |
| InChIKey | LBPNVISBLFVYQS-UHFFFAOYSA-N |
| XLogP | 28.36 |
| TPSA | 210.28 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 179 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2439.45 |
| LogP ≤ 5 | 28.36 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 18 |