C150H166N10O21 — CID 158351522
N,N-diethyl-4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxamide;[4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-yl]-morpholin-4-ylmethanone;[4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzofuran-2-carboxamide;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 158351522) has the molecular formula C150H166N10O21 and a molecular weight of 2445.03 g/mol. Its IUPAC name is N,N-diethyl-4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxamide;[4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-yl]-morpholin-4-ylmethanone;[4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzofuran-2-carboxamide;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N-methyl-1-benzofuran-2-carboxamide.
| Compound Name | N,N-diethyl-4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxamide;[4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-yl]-morpholin-4-ylmethanone;[4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzofuran-2-carboxamide;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N-methyl-1-benzofuran-2-carboxamide |
|---|---|
| PubChem CID | 158351522 |
| Molecular Formula | C150H166N10O21 |
| Molecular Weight | 2445.03 g/mol |
| Exact Mass | 2443.22 |
| IUPAC Name | N,N-diethyl-4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-carboxamide;[4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-yl]-morpholin-4-ylmethanone;[4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-1-benzofuran-2-yl]-pyrrolidin-1-ylmethanone;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N,N-dimethyl-1-benzofuran-2-carboxamide;4-[(2S)-2-hydroxy-3-(4-naphthalen-2-ylpiperidin-1-yl)propoxy]-N-methyl-1-benzofuran-2-carboxamide |
| SMILES | CCN(CC)C(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1.CN(C)C(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1.CNC(=O)c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1.O=C(c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1)N1CCCC1.O=C(c1cc2c(OC[C@@H](O)CN3CCC(c4ccc5ccccc5c4)CC3)cccc2o1)N1CCOCC1 |
| InChI | InChI=1S/C31H34N2O5.C31H34N2O4.C31H36N2O4.C29H32N2O4.C28H30N2O4/c34-26(20-32-12-10-23(11-13-32)25-9-8-22-4-1-2-5-24(22)18-25)21-37-28-6-3-7-29-27(28)19-30(38-29)31(35)33-14-16-36-17-15-33;34-26(20-32-16-12-23(13-17-32)25-11-10-22-6-1-2-7-24(22)18-25)21-36-28-8-5-9-29-27(28)19-30(37-29)31(35)33-14-3-4-15-33;1-3-33(4-2)31(35)30-19-27-28(10-7-11-29(27)37-30)36-21-26(34)20-32-16-14-23(15-17-32)25-13-12-22-8-5-6-9-24(22)18-25;1-30(2)29(33)28-17-25-26(8-5-9-27(25)35-28)34-19-24(32)18-31-14-12-21(13-15-31)23-11-10-20-6-3-4-7-22(20)16-23;1-29-28(32)27-16-24-25(7-4-8-26(24)34-27)33-18-23(31)17-30-13-11-20(12-14-30)22-10-9-19-5-2-3-6-21(19)15-22/h1-9,18-19,23,26,34H,10-17,20-21H2;1-2,5-11,18-19,23,26,34H,3-4,12-17,20-21H2;5-13,18-19,23,26,34H,3-4,14-17,20-21H2,1-2H3;3-11,16-17,21,24,32H,12-15,18-19H2,1-2H3;2-10,15-16,20,23,31H,11-14,17-18H2,1H3,(H,29,32)/t3*26-;24-;23-/m00000/s1 |
| InChIKey | GSJKCZVRZMRZTD-CYTXLGBDSA-N |
| XLogP | 25.28 |
| TPSA | 348.77 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 181 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2445.03 |
| LogP ≤ 5 | 25.28 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 26 |