C157H353N37O12 — CID 158551955
N-[2-(dimethylamino)ethyl]-N-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;methane;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(4-methylpiperazin-1-yl)-[4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-2-N-propan-2-ylbutane-1,2-diamine;N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;molecular hydrogen;1-(propan-2-ylamino)cyclopentane-1-carboxamide;[4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;1-propan-2-ylpiperidine-4-carboxamide;(1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 158551955) has the molecular formula C157H353N37O12 and a molecular weight of 2951.80 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;methane;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(4-methylpiperazin-1-yl)-[4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-2-N-propan-2-ylbutane-1,2-diamine;N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;molecular hydrogen;1-(propan-2-ylamino)cyclopentane-1-carboxamide;[4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;1-propan-2-ylpiperidine-4-carboxamide;(1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide.
| Compound Name | N-[2-(dimethylamino)ethyl]-N-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;methane;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(4-methylpiperazin-1-yl)-[4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-2-N-propan-2-ylbutane-1,2-diamine;N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;molecular hydrogen;1-(propan-2-ylamino)cyclopentane-1-carboxamide;[4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;1-propan-2-ylpiperidine-4-carboxamide;(1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide |
|---|---|
| PubChem CID | 158551955 |
| Molecular Formula | C157H353N37O12 |
| Molecular Weight | 2951.80 g/mol |
| Exact Mass | 2949.81 |
| IUPAC Name | N-[2-(dimethylamino)ethyl]-N-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;methane;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(4-methylpiperazin-1-yl)-[4-(propan-2-ylamino)piperidin-4-yl]methanone;(2R)-3-methyl-2-(propan-2-ylamino)butanamide;2-methyl-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-2-N-propan-2-ylbutane-1,2-diamine;N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-(propan-2-ylamino)piperidine-4-carboxamide;molecular hydrogen;1-(propan-2-ylamino)cyclopentane-1-carboxamide;[4-(propan-2-ylamino)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;1-propan-2-ylpiperidine-4-carboxamide;(1-propan-2-ylpiperidin-4-yl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone;(2R)-1-propan-2-ylpyrrolidine-2-carboxamide |
| SMILES | C.C.C.C.C.CC(C)N1CCC(C(=O)N2CCC(N3CCCC3)CC2)CC1.CC(C)N1CCC(C(N)=O)CC1.CC(C)N1CCC[C@@H]1C(N)=O.CC(C)NC(C)(C)C(N)=O.CC(C)NC1(C(=O)N(C)CCN(C)C)CCNCC1.CC(C)NC1(C(=O)N2CCC(N3CCCC3)CC2)CCNCC1.CC(C)NC1(C(=O)N2CCN(C)CC2)CCNCC1.CC(C)NC1(C(=O)NCCC2CCCN2C)CCNCC1.CC(C)NC1(C(=O)NCCCN(C)C)CCNCC1.CC(C)NC1(C(N)=O)CCCC1.CC(C)N[C@@H](C(N)=O)C(C)C.CC(C)N[C@@H](CN)C(C)C.CC(C)[C@H](C(N)=O)N(C)C(C)C.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H] |
| InChI | InChI=1S/C18H34N4O.C18H33N3O.C16H32N4O.C14H28N4O.2C14H30N4O.2C9H18N2O.C9H20N2O.C8H16N2O.C8H18N2O.C8H20N2.C7H16N2O.5CH4.10H2/c1-15(2)20-18(7-9-19-10-8-18)17(23)22-13-5-16(6-14-22)21-11-3-4-12-21;1-15(2)19-11-5-16(6-12-19)18(22)21-13-7-17(8-14-21)20-9-3-4-10-20;1-13(2)19-16(7-10-17-11-8-16)15(21)18-9-6-14-5-4-12-20(14)3;1-12(2)16-14(4-6-15-7-5-14)13(19)18-10-8-17(3)9-11-18;1-12(2)16-14(6-8-15-9-7-14)13(19)18(5)11-10-17(3)4;1-12(2)17-14(6-9-15-10-7-14)13(19)16-8-5-11-18(3)4;1-7(2)11-5-3-8(4-6-11)9(10)12;1-7(2)11-9(8(10)12)5-3-4-6-9;1-6(2)8(9(10)12)11(5)7(3)4;1-6(2)10-5-3-4-7(10)8(9)11;1-5(2)7(8(9)11)10-6(3)4;1-6(2)8(5-9)10-7(3)4;1-5(2)9-7(3,4)6(8)10;;;;;;;;;;;;;;;/h15-16,19-20H,3-14H2,1-2H3;15-17H,3-14H2,1-2H3;13-14,17,19H,4-12H2,1-3H3,(H,18,21);12,15-16H,4-11H2,1-3H3;12,15-16H,6-11H2,1-5H3;12,15,17H,5-11H2,1-4H3,(H,16,19);7-8H,3-6H2,1-2H3,(H2,10,12);7,11H,3-6H2,1-2H3,(H2,10,12);6-8H,1-5H3,(H2,10,12);6-7H,3-5H2,1-2H3,(H2,9,11);5-7,10H,1-4H3,(H2,9,11);6-8,10H,5,9H2,1-4H3;5,9H,1-4H3,(H2,8,10);5*1H4;10*1H/t;;;;;;;;8-;2*7-;8-;;;;;;;;;;;;;;;;/m........1110................/s1 |
| InChIKey | HPVGMPOEZQKRKN-XBZVNCDISA-N |
| XLogP | 14.18 |
| TPSA | 624.82 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 206 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2951.80 |
| LogP ≤ 5 | 14.18 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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