C127H221ClN30O20 — CID 159415114
4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-[2-(methylamino)ethyl]piperazin-1-yl]acetamide;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;4-(1-methylpiperidin-4-yl)butanoic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 159415114) has the molecular formula C127H221ClN30O20 and a molecular weight of 2523.81 g/mol. Its IUPAC name is 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-[2-(methylamino)ethyl]piperazin-1-yl]acetamide;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;4-(1-methylpiperidin-4-yl)butanoic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid.
| Compound Name | 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-[2-(methylamino)ethyl]piperazin-1-yl]acetamide;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;4-(1-methylpiperidin-4-yl)butanoic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid |
|---|---|
| PubChem CID | 159415114 |
| Molecular Formula | C127H221ClN30O20 |
| Molecular Weight | 2523.81 g/mol |
| Exact Mass | 2521.69 |
| IUPAC Name | 4-amino-1-methylpiperidine-4-carboxylic acid;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;2-[4-[2-(methylamino)ethyl]piperazin-1-yl]acetamide;2-[4-(methylamino)piperidin-1-yl]acetamide;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-methylpiperidine-4-carboxylic acid;2-(1-methylpiperidin-4-yl)acetic acid;4-(1-methylpiperidin-4-yl)butanoic acid;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid |
| SMILES | CN1CCC(C(=O)O)CC1.CN1CCC(CC(=O)O)CC1.CN1CCC(CCCC(=O)O)CC1.CN1CCC(N)(C(=O)O)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCC(N2CCC[C@H]2C(=O)O)CC1.CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.CN1CCC2(CC1)CCN(C)C2=O.CN1CCC2(CCNC2=O)CC1.CN1CCNC(C(=O)O)C1.CNC1CCN(CC(N)=O)CC1.CNC1CN[C@H](C(=O)O)C1.CNCCN1CCN(CC(N)=O)CC1.CNCc1cn2ccccc2n1 |
| InChI | InChI=1S/C14H18N2O.C13H16ClN3O.C11H20N2O2.C10H18N2O.C10H19NO2.C9H20N4O.C9H11N3.C9H16N2O.C8H17N3O.C8H15NO2.C7H14N2O2.C7H13NO2.2C6H12N2O2/c1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14(16)17;1-16-6-4-10(5-7-16)17-12-3-2-9(14)8-11(12)15-13(17)18;1-12-7-4-9(5-8-12)13-6-2-3-10(13)11(14)15;1-11-6-3-10(4-7-11)5-8-12(2)9(10)13;1-11-7-5-9(6-8-11)3-2-4-10(12)13;1-11-2-3-12-4-6-13(7-5-12)8-9(10)14;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-11-6-3-9(4-7-11)2-5-10-8(9)12;1-10-7-2-4-11(5-3-7)6-8(9)12;1-9-4-2-7(3-5-9)6-8(10)11;1-9-4-2-7(8,3-5-9)6(10)11;1-8-4-2-6(3-5-8)7(9)10;1-7-4-2-5(6(9)10)8-3-4;1-8-3-2-7-5(4-8)6(9)10/h2-5,12H,6-10H2,1H3;2-3,8,10H,4-7H2,1H3,(H,15,18);9-10H,2-8H2,1H3,(H,14,15);3-8H2,1-2H3;9H,2-8H2,1H3,(H,12,13);11H,2-8H2,1H3,(H2,10,14);2-5,7,10H,6H2,1H3;2-7H2,1H3,(H,10,12);7,10H,2-6H2,1H3,(H2,9,12);7H,2-6H2,1H3,(H,10,11);2-5,8H2,1H3,(H,10,11);6H,2-5H2,1H3,(H,9,10);4-5,7-8H,2-3H2,1H3,(H,9,10);5,7H,2-4H2,1H3,(H,9,10)/t;;10-;;;;;;;;;;4?,5-;/m..0.........0./s1 |
| InChIKey | LPBIGSPOSBVBGA-PKSIDSDXSA-N |
| XLogP | 4.13 |
| TPSA | 615.65 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 178 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2523.81 |
| LogP ≤ 5 | 4.13 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 37 |