C160H159N19O22 — CID 157137410
5-[4-(3-aminophenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;N-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-oxobutyl]phenyl]acetamide;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(3-pyridin-2-yloxyphenyl)butyl]-3H-isoindol-1-one;N-methyl-3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpropanamide (PubChem CID 157137410) has the molecular formula C160H159N19O22 and a molecular weight of 2700.14 g/mol. Its IUPAC name is 5-[4-(3-aminophenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;N-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-oxobutyl]phenyl]acetamide;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(3-pyridin-2-yloxyphenyl)butyl]-3H-isoindol-1-one;N-methyl-3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpropanamide.
| Compound Name | 5-[4-(3-aminophenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;N-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-oxobutyl]phenyl]acetamide;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(3-pyridin-2-yloxyphenyl)butyl]-3H-isoindol-1-one;N-methyl-3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpropanamide |
|---|---|
| PubChem CID | 157137410 |
| Molecular Formula | C160H159N19O22 |
| Molecular Weight | 2700.14 g/mol |
| Exact Mass | 2698.19 |
| IUPAC Name | 5-[4-(3-aminophenyl)-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;N-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2-oxobutyl]phenyl]acetamide;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(pyridin-4-yloxymethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(3-pyridin-2-yloxyphenyl)butyl]-3H-isoindol-1-one;N-methyl-3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-N-phenylpropanamide |
| SMILES | C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(COc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(NC(C)=O)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(-c5nc(C)no5)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(N)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(Oc5ccccn5)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)N(C)c4ccccc4)ccc3C2=O)C(=O)N1 |
| InChI | InChI=1S/C30H29N3O4.C29H27N3O4.C27H26N4O4.C26H27N3O4.2C24H25N3O3/c1-20-2-11-28(29(35)32-20)33-18-24-16-21(8-10-27(24)30(33)36)7-9-25(34)17-22-3-5-23(6-4-22)19-37-26-12-14-31-15-13-26;1-19-8-13-26(28(34)31-19)32-18-22-15-20(10-12-25(22)29(32)35)9-11-23(33)16-21-5-4-6-24(17-21)36-27-7-2-3-14-30-27;1-16-6-11-24(25(33)28-16)31-15-21-12-18(8-10-23(21)27(31)34)7-9-22(32)14-19-4-3-5-20(13-19)26-29-17(2)30-35-26;1-16-3-12-24(25(32)27-16)29-15-20-13-18(7-11-23(20)26(29)33)6-10-22(31)14-19-4-8-21(9-5-19)28-17(2)30;1-16-8-12-21(23(29)25-16)27-15-18-14-17(9-11-20(18)24(27)30)10-13-22(28)26(2)19-6-4-3-5-7-19;1-15-5-10-22(23(29)26-15)27-14-18-11-16(7-9-21(18)24(27)30)6-8-20(28)13-17-3-2-4-19(25)12-17/h3-6,8,10,12-16,28H,1-2,7,9,11,17-19H2,(H,32,35);2-7,10,12,14-15,17,26H,1,8-9,11,13,16,18H2,(H,31,34);3-5,8,10,12-13,24H,1,6-7,9,11,14-15H2,2H3,(H,28,33);4-5,7-9,11,13,24H,1,3,6,10,12,14-15H2,2H3,(H,27,32)(H,28,30);3-7,9,11,14,21H,1,8,10,12-13,15H2,2H3,(H,25,29);2-4,7,9,11-12,22H,1,5-6,8,10,13-14,25H2,(H,26,29) |
| InChIKey | AJTZHVKBQWIJHZ-UHFFFAOYSA-N |
| XLogP | 20.99 |
| TPSA | 540.40 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 201 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2700.14 |
| LogP ≤ 5 | 20.99 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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