C188H412N31O17S2+ — CID 161455483
amino-(1-tert-butylpiperidin-4-yl)-oxoazanium;1-tert-butyl-N,N-dimethylpiperidine-2-carboxamide;1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide;1-tert-butyl-N,N-dimethylpiperidine-4-carboxamide;1-tert-butylpiperidine-2-carboxamide;1-tert-butylpiperidine-3-carboxamide;N-(1-tert-butylpiperidin-3-yl)acetamide;1-[(1-tert-butylpiperidin-3-yl)amino]propan-2-one;N-(1-tert-butylpiperidin-4-yl)methanesulfonamide;N-(1-tert-butylpiperidin-3-yl)-N-methylacetamide;N-[(1-tert-butylpiperidin-4-yl)methyl]acetamide;N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methylacetamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methylpropanamide;N-[(1-tert-butylpiperidin-4-yl)methyl]propanamide;methane (PubChem CID 161455483) has the molecular formula C188H412N31O17S2+ and a molecular weight of 3443.70 g/mol. Its IUPAC name is amino-(1-tert-butylpiperidin-4-yl)-oxoazanium;1-tert-butyl-N,N-dimethylpiperidine-2-carboxamide;1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide;1-tert-butyl-N,N-dimethylpiperidine-4-carboxamide;1-tert-butylpiperidine-2-carboxamide;1-tert-butylpiperidine-3-carboxamide;N-(1-tert-butylpiperidin-3-yl)acetamide;1-[(1-tert-butylpiperidin-3-yl)amino]propan-2-one;N-(1-tert-butylpiperidin-4-yl)methanesulfonamide;N-(1-tert-butylpiperidin-3-yl)-N-methylacetamide;N-[(1-tert-butylpiperidin-4-yl)methyl]acetamide;N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methylacetamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methylpropanamide;N-[(1-tert-butylpiperidin-4-yl)methyl]propanamide;methane.
| Compound Name | amino-(1-tert-butylpiperidin-4-yl)-oxoazanium;1-tert-butyl-N,N-dimethylpiperidine-2-carboxamide;1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide;1-tert-butyl-N,N-dimethylpiperidine-4-carboxamide;1-tert-butylpiperidine-2-carboxamide;1-tert-butylpiperidine-3-carboxamide;N-(1-tert-butylpiperidin-3-yl)acetamide;1-[(1-tert-butylpiperidin-3-yl)amino]propan-2-one;N-(1-tert-butylpiperidin-4-yl)methanesulfonamide;N-(1-tert-butylpiperidin-3-yl)-N-methylacetamide;N-[(1-tert-butylpiperidin-4-yl)methyl]acetamide;N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methylacetamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methylpropanamide;N-[(1-tert-butylpiperidin-4-yl)methyl]propanamide;methane |
|---|---|
| PubChem CID | 161455483 |
| Molecular Formula | C188H412N31O17S2+ |
| Molecular Weight | 3443.70 g/mol |
| Exact Mass | 3441.18 |
| IUPAC Name | amino-(1-tert-butylpiperidin-4-yl)-oxoazanium;1-tert-butyl-N,N-dimethylpiperidine-2-carboxamide;1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide;1-tert-butyl-N,N-dimethylpiperidine-4-carboxamide;1-tert-butylpiperidine-2-carboxamide;1-tert-butylpiperidine-3-carboxamide;N-(1-tert-butylpiperidin-3-yl)acetamide;1-[(1-tert-butylpiperidin-3-yl)amino]propan-2-one;N-(1-tert-butylpiperidin-4-yl)methanesulfonamide;N-(1-tert-butylpiperidin-3-yl)-N-methylacetamide;N-[(1-tert-butylpiperidin-4-yl)methyl]acetamide;N-(1-tert-butylpiperidin-4-yl)-N-methylmethanesulfonamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methylacetamide;N-[(1-tert-butylpiperidin-4-yl)methyl]-N-methylpropanamide;N-[(1-tert-butylpiperidin-4-yl)methyl]propanamide;methane |
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)CNC1CCCN(C(C)(C)C)C1.CC(=O)N(C)C1CCCN(C(C)(C)C)C1.CC(=O)N(C)CC1CCN(C(C)(C)C)CC1.CC(=O)NC1CCCN(C(C)(C)C)C1.CC(=O)NCC1CCN(C(C)(C)C)CC1.CC(C)(C)N1CCC(NS(C)(=O)=O)CC1.CC(C)(C)N1CCC([N+](N)=O)CC1.CC(C)(C)N1CCCC(C(N)=O)C1.CC(C)(C)N1CCCCC1C(N)=O.CCC(=O)N(C)CC1CCN(C(C)(C)C)CC1.CCC(=O)NCC1CCN(C(C)(C)C)CC1.CN(C)C(=O)C1CCCCN1C(C)(C)C.CN(C)C(=O)C1CCCN(C(C)(C)C)C1.CN(C)C(=O)C1CCN(C(C)(C)C)CC1.CN(C1CCN(C(C)(C)C)CC1)S(C)(=O)=O |
| InChI | InChI=1S/C14H28N2O.2C13H26N2O.6C12H24N2O.C11H24N2O2S.C11H22N2O.C10H22N2O2S.2C10H20N2O.C9H20N3O.15CH4/c1-6-13(17)15(5)11-12-7-9-16(10-8-12)14(2,3)4;1-11(16)14(5)10-12-6-8-15(9-7-12)13(2,3)4;1-5-12(16)14-10-11-6-8-15(9-7-11)13(2,3)4;1-12(2,3)14-8-6-10(7-9-14)11(15)13(4)5;1-12(2,3)14-8-6-7-10(9-14)11(15)13(4)5;1-10(15)13(5)11-7-6-8-14(9-11)12(2,3)4;1-12(2,3)14-9-7-6-8-10(14)11(15)13(4)5;1-10(15)13-9-11-5-7-14(8-6-11)12(2,3)4;1-10(15)8-13-11-6-5-7-14(9-11)12(2,3)4;1-11(2,3)13-8-6-10(7-9-13)12(4)16(5,14)15;1-9(14)12-10-6-5-7-13(8-10)11(2,3)4;1-10(2,3)12-7-5-9(6-8-12)11-15(4,13)14;1-10(2,3)12-6-4-5-8(7-12)9(11)13;1-10(2,3)12-7-5-4-6-8(12)9(11)13;1-9(2,3)11-6-4-8(5-7-11)12(10)13;;;;;;;;;;;;;;;/h12H,6-11H2,1-5H3;12H,6-10H2,1-5H3;11H,5-10H2,1-4H3,(H,14,16);2*10H,6-9H2,1-5H3;11H,6-9H2,1-5H3;10H,6-9H2,1-5H3;11H,5-9H2,1-4H3,(H,13,15);11,13H,5-9H2,1-4H3;10H,6-9H2,1-5H3;10H,5-8H2,1-4H3,(H,12,14);9,11H,5-8H2,1-4H3;2*8H,4-7H2,1-3H3,(H2,11,13);8H,4-7H2,1-3H3,(H2,10,13);15*1H4/q;;;;;;;;;;;;;;+1;;;;;;;;;;;;;;; |
| InChIKey | RYALOPMFCQZKGP-UHFFFAOYSA-N |
| XLogP | 31.92 |
| TPSA | 502.69 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 238 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3443.70 |
| LogP ≤ 5 | 31.92 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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