C119H235N21O13 — CID 159221749
cyclopropylmethyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2-(1-methoxycyclopropyl)acetamide;2,3-dimethyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;2,2-dimethylpropyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3-methyl-N-[1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]butanamide;2-methylpropyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide (PubChem CID 159221749) has the molecular formula C119H235N21O13 and a molecular weight of 2168.32 g/mol. Its IUPAC name is cyclopropylmethyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2-(1-methoxycyclopropyl)acetamide;2,3-dimethyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;2,2-dimethylpropyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3-methyl-N-[1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]butanamide;2-methylpropyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide.
| Compound Name | cyclopropylmethyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2-(1-methoxycyclopropyl)acetamide;2,3-dimethyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;2,2-dimethylpropyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3-methyl-N-[1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]butanamide;2-methylpropyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide |
|---|---|
| PubChem CID | 159221749 |
| Molecular Formula | C119H235N21O13 |
| Molecular Weight | 2168.32 g/mol |
| Exact Mass | 2166.84 |
| IUPAC Name | cyclopropylmethyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]-2-(1-methoxycyclopropyl)acetamide;2,3-dimethyl-N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]butanamide;2,2-dimethylpropyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;3-methyl-N-[1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]butanamide;2-methylpropyl N-[4-[(dimethylamino)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate;N-[4-(morpholin-4-ylmethyl)-1-propan-2-ylpiperidin-4-yl]propanamide |
| SMILES | CC(C)C(C)C(=O)NC1(CN2CCOCC2)CCN(C(C)C)CC1.CC(C)CC(=O)NC1(CN2CCCC2)CCN(C(C)C)CC1.CC(C)COC(=O)NC1(CN(C)C)CCN(C(C)C)CC1.CC(C)N1CCC(CN(C)C)(NC(=O)OCC(C)(C)C)CC1.CC(C)N1CCC(CN(C)C)(NC(=O)OCC2CC2)CC1.CCC(=O)NC1(CN2CCOCC2)CCN(C(C)C)CC1.COC1(CC(=O)NC2(CN(C)C)CCN(C(C)C)CC2)CC1 |
| InChI | InChI=1S/C19H37N3O2.C18H35N3O.C17H33N3O2.C17H35N3O2.2C16H31N3O2.C16H33N3O2/c1-15(2)17(5)18(23)20-19(14-21-10-12-24-13-11-21)6-8-22(9-7-19)16(3)4;1-15(2)13-17(22)19-18(14-20-9-5-6-10-20)7-11-21(12-8-18)16(3)4;1-14(2)20-10-8-16(9-11-20,13-19(3)4)18-15(21)12-17(22-5)6-7-17;1-14(2)20-10-8-17(9-11-20,12-19(6)7)18-15(21)22-13-16(3,4)5;1-13(2)19-9-7-16(8-10-19,12-18(3)4)17-15(20)21-11-14-5-6-14;1-4-15(20)17-16(13-18-9-11-21-12-10-18)5-7-19(8-6-16)14(2)3;1-13(2)11-21-15(20)17-16(12-18(5)6)7-9-19(10-8-16)14(3)4/h15-17H,6-14H2,1-5H3,(H,20,23);15-16H,5-14H2,1-4H3,(H,19,22);14H,6-13H2,1-5H3,(H,18,21);14H,8-13H2,1-7H3,(H,18,21);13-14H,5-12H2,1-4H3,(H,17,20);14H,4-13H2,1-3H3,(H,17,20);13-14H,7-12H2,1-6H3,(H,17,20) |
| InChIKey | KRTWMERRHLBVOC-UHFFFAOYSA-N |
| XLogP | 13.69 |
| TPSA | 304.44 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2168.32 |
| LogP ≤ 5 | 13.69 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
|---|