C87H143N17O3 — CID 162225987
N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine (PubChem CID 162225987) has the molecular formula C87H143N17O3 and a molecular weight of 1475.22 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine.
| Compound Name | N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine |
|---|---|
| PubChem CID | 162225987 |
| Molecular Formula | C87H143N17O3 |
| Molecular Weight | 1475.22 g/mol |
| Exact Mass | 1474.16 |
| IUPAC Name | N,N-dimethyl-2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetamide;methyl 2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]acetate;1-methyl-4-[(2S)-1-phenylpyrrolidin-2-yl]piperidine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;4-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyridine;2-[(2S)-2-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]pyrimidine |
| SMILES | CN1CCC([C@@H]2CCCN2CC(=O)N(C)C)CC1.CN1CCC([C@@H]2CCCN2c2ccccc2)CC1.CN1CCC([C@@H]2CCCN2c2ccccn2)CC1.CN1CCC([C@@H]2CCCN2c2ccncc2)CC1.CN1CCC([C@@H]2CCCN2c2ncccn2)CC1.COC(=O)CN1CCC[C@H]1C1CCN(C)CC1 |
| InChI | InChI=1S/C16H24N2.2C15H23N3.C14H22N4.C14H27N3O.C13H24N2O2/c1-17-12-9-14(10-13-17)16-8-5-11-18(16)15-6-3-2-4-7-15;1-17-11-6-13(7-12-17)15-3-2-10-18(15)14-4-8-16-9-5-14;1-17-11-7-13(8-12-17)14-5-4-10-18(14)15-6-2-3-9-16-15;1-17-10-5-12(6-11-17)13-4-2-9-18(13)14-15-7-3-8-16-14;1-15(2)14(18)11-17-8-4-5-13(17)12-6-9-16(3)10-7-12;1-14-8-5-11(6-9-14)12-4-3-7-15(12)10-13(16)17-2/h2-4,6-7,14,16H,5,8-13H2,1H3;4-5,8-9,13,15H,2-3,6-7,10-12H2,1H3;2-3,6,9,13-14H,4-5,7-8,10-12H2,1H3;3,7-8,12-13H,2,4-6,9-11H2,1H3;12-13H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3/t16-;15-;14-;2*13-;12-/m000000/s1 |
| InChIKey | ZUTQQPYLRVPPSO-AHRCIFKDSA-N |
| XLogP | 11.42 |
| TPSA | 137.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 107 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1475.22 |
| LogP ≤ 5 | 11.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |