C148H208ClN21O12 — CID 158108688
N-benzyl-N,1-dimethylpiperidine-4-carboxamide;N-benzyl-1-methylpiperidine-4-carboxamide;(4-chlorophenyl)-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-phenylpiperidine-4-carboxamide;1-(4-ethoxyphenyl)-4-methylpiperazine;1-methyl-N-phenylpiperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)benzamide;N-(1-methylpiperidin-4-yl)-2-phenylacetamide;(1-methyl-4-pyridin-3-ylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methyl-4-pyridin-4-ylpiperidin-4-yl)-morpholin-4-ylmethanone;toluene (PubChem CID 158108688) has the molecular formula C148H208ClN21O12 and a molecular weight of 2508.88 g/mol. Its IUPAC name is N-benzyl-N,1-dimethylpiperidine-4-carboxamide;N-benzyl-1-methylpiperidine-4-carboxamide;(4-chlorophenyl)-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-phenylpiperidine-4-carboxamide;1-(4-ethoxyphenyl)-4-methylpiperazine;1-methyl-N-phenylpiperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)benzamide;N-(1-methylpiperidin-4-yl)-2-phenylacetamide;(1-methyl-4-pyridin-3-ylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methyl-4-pyridin-4-ylpiperidin-4-yl)-morpholin-4-ylmethanone;toluene.
| Compound Name | N-benzyl-N,1-dimethylpiperidine-4-carboxamide;N-benzyl-1-methylpiperidine-4-carboxamide;(4-chlorophenyl)-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-phenylpiperidine-4-carboxamide;1-(4-ethoxyphenyl)-4-methylpiperazine;1-methyl-N-phenylpiperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)benzamide;N-(1-methylpiperidin-4-yl)-2-phenylacetamide;(1-methyl-4-pyridin-3-ylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methyl-4-pyridin-4-ylpiperidin-4-yl)-morpholin-4-ylmethanone;toluene |
|---|---|
| PubChem CID | 158108688 |
| Molecular Formula | C148H208ClN21O12 |
| Molecular Weight | 2508.88 g/mol |
| Exact Mass | 2506.60 |
| IUPAC Name | N-benzyl-N,1-dimethylpiperidine-4-carboxamide;N-benzyl-1-methylpiperidine-4-carboxamide;(4-chlorophenyl)-(1-methylpiperidin-4-yl)methanone;N,1-dimethyl-N-phenylpiperidine-4-carboxamide;1-(4-ethoxyphenyl)-4-methylpiperazine;1-methyl-N-phenylpiperidine-4-carboxamide;N-(1-methylpiperidin-4-yl)benzamide;N-(1-methylpiperidin-4-yl)-2-phenylacetamide;(1-methyl-4-pyridin-3-ylpiperidin-4-yl)-morpholin-4-ylmethanone;(1-methyl-4-pyridin-4-ylpiperidin-4-yl)-morpholin-4-ylmethanone;toluene |
| SMILES | CCOc1ccc(N2CCN(C)CC2)cc1.CN1CCC(C(=O)N(C)Cc2ccccc2)CC1.CN1CCC(C(=O)N(C)c2ccccc2)CC1.CN1CCC(C(=O)N2CCOCC2)(c2cccnc2)CC1.CN1CCC(C(=O)N2CCOCC2)(c2ccncc2)CC1.CN1CCC(C(=O)NCc2ccccc2)CC1.CN1CCC(C(=O)Nc2ccccc2)CC1.CN1CCC(C(=O)c2ccc(Cl)cc2)CC1.CN1CCC(NC(=O)Cc2ccccc2)CC1.CN1CCC(NC(=O)c2ccccc2)CC1.Cc1ccccc1 |
| InChI | InChI=1S/2C16H23N3O2.C15H22N2O.3C14H20N2O.C13H16ClNO.2C13H18N2O.C13H20N2O.C7H8/c1-18-8-4-16(5-9-18,14-2-6-17-7-3-14)15(20)19-10-12-21-13-11-19;1-18-7-4-16(5-8-18,14-3-2-6-17-13-14)15(20)19-9-11-21-12-10-19;1-16-10-8-14(9-11-16)15(18)17(2)12-13-6-4-3-5-7-13;1-15-10-8-12(9-11-15)14(17)16(2)13-6-4-3-5-7-13;1-16-9-7-13(8-10-16)14(17)15-11-12-5-3-2-4-6-12;1-16-9-7-13(8-10-16)15-14(17)11-12-5-3-2-4-6-12;1-15-8-6-11(7-9-15)13(16)10-2-4-12(14)5-3-10;1-15-9-7-11(8-10-15)13(16)14-12-5-3-2-4-6-12;1-15-9-7-12(8-10-15)14-13(16)11-5-3-2-4-6-11;1-3-16-13-6-4-12(5-7-13)15-10-8-14(2)9-11-15;1-7-5-3-2-4-6-7/h2-3,6-7H,4-5,8-13H2,1H3;2-3,6,13H,4-5,7-12H2,1H3;3-7,14H,8-12H2,1-2H3;3-7,12H,8-11H2,1-2H3;2*2-6,13H,7-11H2,1H3,(H,15,17);2-5,11H,6-9H2,1H3;2-6,11H,7-10H2,1H3,(H,14,16);2-6,12H,7-10H2,1H3,(H,14,16);4-7H,3,8-11H2,1-2H3;2-6H,1H3 |
| InChIKey | FQDPCRPBJYAZOS-UHFFFAOYSA-N |
| XLogP | 19.04 |
| TPSA | 303.82 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 182 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2508.88 |
| LogP ≤ 5 | 19.04 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'} |
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