C129H246F6N22O18 — CID 159732931
N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;tert-butyl N-[3-[2-(dimethylamino)ethoxy]-1-propan-2-ylpiperidin-4-yl]carbamate;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate (PubChem CID 159732931) has the molecular formula C129H246F6N22O18 and a molecular weight of 2507.51 g/mol. Its IUPAC name is N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;tert-butyl N-[3-[2-(dimethylamino)ethoxy]-1-propan-2-ylpiperidin-4-yl]carbamate;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate.
| Compound Name | N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;tert-butyl N-[3-[2-(dimethylamino)ethoxy]-1-propan-2-ylpiperidin-4-yl]carbamate;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate |
|---|---|
| PubChem CID | 159732931 |
| Molecular Formula | C129H246F6N22O18 |
| Molecular Weight | 2507.51 g/mol |
| Exact Mass | 2505.89 |
| IUPAC Name | N-(4-amino-1-propan-2-ylpyrrolidin-3-yl)-3-methylbutanamide;tert-butyl N-[3-[2-(dimethylamino)ethoxy]-1-propan-2-ylpiperidin-4-yl]carbamate;2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-2,3-dimethylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-methylcyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclobutane-1-carboxamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide;propan-2-yl N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)carbamate |
| SMILES | CC(C)C(C)C(=O)NC1CCN(C(C)C)CC1O.CC(C)CC(=O)NC1CCN(C(C)C)CC1O.CC(C)CC(=O)NC1CN(C(C)C)CC1N.CC(C)N1CCC(NC(=O)C2(C(F)(F)F)CC2)C(O)C1.CC(C)N1CCC(NC(=O)C2(C(F)(F)F)CCC2)C(O)C1.CC(C)N1CCC(NC(=O)C2(C)CCC2)C(O)C1.CC(C)N1CCC(NC(=O)OC(C)(C)C)C(OCCN(C)C)C1.CC(C)OC(=O)NC1CCN(C(C)C)CC1O.CCN1CCN(CC2(NC(=O)CC3CC3)CCN(C(C)C)CC2)CC1 |
| InChI | InChI=1S/C20H38N4O.C17H35N3O3.C14H23F3N2O2.C14H26N2O2.C14H28N2O2.C13H21F3N2O2.C13H26N2O2.C12H25N3O.C12H24N2O3/c1-4-22-11-13-23(14-12-22)16-20(21-19(25)15-18-5-6-18)7-9-24(10-8-20)17(2)3;1-13(2)20-9-8-14(18-16(21)23-17(3,4)5)15(12-20)22-11-10-19(6)7;1-9(2)19-7-4-10(11(20)8-19)18-12(21)13(5-3-6-13)14(15,16)17;1-10(2)16-8-5-11(12(17)9-16)15-13(18)14(3)6-4-7-14;1-9(2)11(5)14(18)15-12-6-7-16(10(3)4)8-13(12)17;1-8(2)18-6-3-9(10(19)7-18)17-11(20)12(4-5-12)13(14,15)16;1-9(2)7-13(17)14-11-5-6-15(10(3)4)8-12(11)16;1-8(2)5-12(16)14-11-7-15(9(3)4)6-10(11)13;1-8(2)14-6-5-10(11(15)7-14)13-12(16)17-9(3)4/h17-18H,4-16H2,1-3H3,(H,21,25);13-15H,8-12H2,1-7H3,(H,18,21);9-11,20H,3-8H2,1-2H3,(H,18,21);10-12,17H,4-9H2,1-3H3,(H,15,18);9-13,17H,6-8H2,1-5H3,(H,15,18);8-10,19H,3-7H2,1-2H3,(H,17,20);9-12,16H,5-8H2,1-4H3,(H,14,17);8-11H,5-7,13H2,1-4H3,(H,14,16);8-11,15H,5-7H2,1-4H3,(H,13,16) |
| InChIKey | NBLUNARKVQLDNP-UHFFFAOYSA-N |
| XLogP | 11.59 |
| TPSA | 475.87 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2507.51 |
| LogP ≤ 5 | 11.59 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 31 |