C248H290Cl2F2N42O10 — CID 157254561
N-[1-[[6-(4-benzamidopiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-2-methyl-3-pyridin-4-ylbenzamide;N-[1-[[6-(4-benzamidopiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-4-ylbenzamide;2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;4-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;4-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide (PubChem CID 157254561) has the molecular formula C248H290Cl2F2N42O10 and a molecular weight of 4128.23 g/mol. Its IUPAC name is N-[1-[[6-(4-benzamidopiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-2-methyl-3-pyridin-4-ylbenzamide;N-[1-[[6-(4-benzamidopiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-4-ylbenzamide;2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;4-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;4-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide.
| Compound Name | N-[1-[[6-(4-benzamidopiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-2-methyl-3-pyridin-4-ylbenzamide;N-[1-[[6-(4-benzamidopiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-4-ylbenzamide;2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;4-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;4-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide |
|---|---|
| PubChem CID | 157254561 |
| Molecular Formula | C248H290Cl2F2N42O10 |
| Molecular Weight | 4128.23 g/mol |
| Exact Mass | 4124.28 |
| IUPAC Name | N-[1-[[6-(4-benzamidopiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-2-methyl-3-pyridin-4-ylbenzamide;N-[1-[[6-(4-benzamidopiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-pyridin-4-ylbenzamide;2-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;4-chloro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;2-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;4-fluoro-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;2-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide;4-methyl-N-[1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-3-pyridin-2-ylbenzamide |
| SMILES | CC1CCN(c2ccc(CN3CCC(NC(=O)c4ccc(Cl)c(-c5ccccn5)c4)CC3)cn2)CC1.CC1CCN(c2ccc(CN3CCC(NC(=O)c4ccc(F)c(-c5ccccn5)c4)CC3)cn2)CC1.CC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5ccccn5)c4Cl)CC3)cn2)CC1.CC1CCN(c2ccc(CN3CCC(NC(=O)c4cccc(-c5ccccn5)c4F)CC3)cn2)CC1.Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCC(C)CC4)nc3)CC2)cccc1-c1ccccn1.Cc1c(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5ccccc5)CC4)nc3)CC2)cccc1-c1ccncc1.Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(C)CC4)nc3)CC2)cc1-c1ccccn1.Cc1ccc(C(=O)NC2CCN(Cc3ccc(N4CCC(NC(=O)c5ccccc5)CC4)nc3)CC2)cc1-c1ccncc1 |
| InChI | InChI=1S/2C36H40N6O2.2C30H37N5O.2C29H34ClN5O.2C29H34FN5O/c1-26-32(28-12-18-37-19-13-28)8-5-9-33(26)36(44)40-30-14-20-41(21-15-30)25-27-10-11-34(38-24-27)42-22-16-31(17-23-42)39-35(43)29-6-3-2-4-7-29;1-26-7-9-30(23-33(26)28-11-17-37-18-12-28)36(44)40-31-13-19-41(20-14-31)25-27-8-10-34(38-24-27)42-21-15-32(16-22-42)39-35(43)29-5-3-2-4-6-29;1-22-11-18-35(19-12-22)29-10-9-24(20-32-29)21-34-16-13-25(14-17-34)33-30(36)27-7-5-6-26(23(27)2)28-8-3-4-15-31-28;1-22-10-17-35(18-11-22)29-9-7-24(20-32-29)21-34-15-12-26(13-16-34)33-30(36)25-8-6-23(2)27(19-25)28-5-3-4-14-31-28;1-21-10-17-35(18-11-21)27-9-8-22(19-32-27)20-34-15-12-23(13-16-34)33-29(36)25-6-4-5-24(28(25)30)26-7-2-3-14-31-26;1-21-9-16-35(17-10-21)28-8-5-22(19-32-28)20-34-14-11-24(12-15-34)33-29(36)23-6-7-26(30)25(18-23)27-4-2-3-13-31-27;1-21-10-17-35(18-11-21)27-9-8-22(19-32-27)20-34-15-12-23(13-16-34)33-29(36)25-6-4-5-24(28(25)30)26-7-2-3-14-31-26;1-21-9-16-35(17-10-21)28-8-5-22(19-32-28)20-34-14-11-24(12-15-34)33-29(36)23-6-7-26(30)25(18-23)27-4-2-3-13-31-27/h2-13,18-19,24,30-31H,14-17,20-23,25H2,1H3,(H,39,43)(H,40,44);2-12,17-18,23-24,31-32H,13-16,19-22,25H2,1H3,(H,39,43)(H,40,44);3-10,15,20,22,25H,11-14,16-19,21H2,1-2H3,(H,33,36);3-9,14,19-20,22,26H,10-13,15-18,21H2,1-2H3,(H,33,36);2-9,14,19,21,23H,10-13,15-18,20H2,1H3,(H,33,36);2-8,13,18-19,21,24H,9-12,14-17,20H2,1H3,(H,33,36);2-9,14,19,21,23H,10-13,15-18,20H2,1H3,(H,33,36);2-8,13,18-19,21,24H,9-12,14-17,20H2,1H3,(H,33,36) |
| InChIKey | AWSUMZTWPPCYGW-UHFFFAOYSA-N |
| XLogP | 41.34 |
| TPSA | 549.08 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 52 |
| Heavy Atoms | 304 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4128.23 |
| LogP ≤ 5 | 41.34 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 42 |