4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride

C131H138ClN17O20 — CID 159750803

About 4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride

4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride (PubChem CID 159750803) has the molecular formula C131H138ClN17O20 and a molecular weight of 2306.10 g/mol. Its IUPAC name is 4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride.

Molecular Properties

• Compound Name: 4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride
• PubChem CID: 159750803
• Molecular Formula: C131H138ClN17O20
• Molecular Weight: 2306.10 g/mol
• Exact Mass: 2304.00
• IUPAC Name: 4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride
• SMILES: C=C1CCC(N2Cc3c(OCC4CCCOC4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCC4CCNCC4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5c(c4)CN(C)C5)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccccn4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nn(C)c5ccccc45)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4oc5ccccc5c4C)cccc3C2=O)C(=O)N1.Cl
• InChI: InChI=1S/C24H25N3O3.C24H22N2O4.C23H22N4O3.C20H19N3O3.C20H25N3O3.C20H24N2O4.ClH/c1-15-6-9-21(23(28)25-15)27-13-20-19(24(27)29)4-3-5-22(20)30-14-16-7-8-17-11-26(2)12-18(17)10-16;1-14-10-11-19(23(27)25-14)26-12-18-17(24(26)28)7-5-9-20(18)29-13-22-15(2)16-6-3-4-8-21(16)30-22;1-14-10-11-20(22(28)24-14)27-12-17-15(23(27)29)7-5-9-21(17)30-13-18-16-6-3-4-8-19(16)26(2)25-18;1-13-8-9-17(19(24)22-13)23-11-16-15(20(23)25)6-4-7-18(16)26-12-14-5-2-3-10-21-14;1-13-5-6-17(19(24)22-13)23-11-16-15(20(23)25)3-2-4-18(16)26-12-14-7-9-21-10-8-14;1-13-7-8-17(19(23)21-13)22-10-16-15(20(22)24)5-2-6-18(16)26-12-14-4-3-9-25-11-14;/h3-5,7-8,10,21H,1,6,9,11-14H2,2H3,(H,25,28);3-9,19H,1,10-13H2,2H3,(H,25,27);3-9,20H,1,10-13H2,2H3,(H,24,28);2-7,10,17H,1,8-9,11-12H2,(H,22,24);2-4,14,17,21H,1,5-12H2,(H,22,24);2,5-6,14,17H,1,3-4,7-12H2,(H,21,23);1H
• InChIKey: YAFQZTYAJPIUFP-UHFFFAOYSA-N
• XLogP: 16.81
• TPSA: 420.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2306.10
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride?

The IUPAC name of 4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride (CID 159750803) is 4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride.

What is the SMILES notation for 4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride?

The canonical SMILES for 4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride is C=C1CCC(N2Cc3c(OCC4CCCOC4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCC4CCNCC4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc5c(c4)CN(C)C5)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccccn4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nn(C)c5ccccc45)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4oc5ccccc5c4C)cccc3C2=O)C(=O)N1.Cl.

What is the InChIKey of 4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride?

The InChIKey is YAFQZTYAJPIUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3.C24H22N2O4.C23H22N4O3.C20H19N3O3.C20H25N3O3.C20H24N2O4.ClH/c1-15-6-9-21(23(28)25-15)27-13-20-19(24(27)29)4-3-5-22(20)30-14-16-7-8-17-11-26(2)12-18(17)10-16;1-14-10-11-19(23(27)25-14)26-12-18-17(24(26)28)7-5-9-20(18)29-13-22-15(2)16-6-3-4-8-21(16)30-22;1-14-10-11-20(22(28)24-14)27-12-17-15(23(27)29)7-5-9-21(17)30-13-18-16-6-3-4-8-19(16)26(2)25-18;1-13-8-9-17(19(24)22-13)23-11-16-15(20(23)25)6-4-7-18(16)26-12-14-5-2-3-10-21-14;1-13-5-6-17(19(24)22-13)23-11-16-15(20(23)25)3-2-4-18(16)26-12-14-7-9-21-10-8-14;1-13-7-8-17(19(23)21-13)22-10-16-15(20(22)24)5-2-6-18(16)26-12-14-4-3-9-25-11-14;/h3-5,7-8,10,21H,1,6,9,11-14H2,2H3,(H,25,28);3-9,19H,1,10-13H2,2H3,(H,25,27);3-9,20H,1,10-13H2,2H3,(H,24,28);2-7,10,17H,1,8-9,11-12H2,(H,22,24);2-4,14,17,21H,1,5-12H2,(H,22,24);2,5-6,14,17H,1,3-4,7-12H2,(H,21,23);1H.

What are the key properties of 4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride?

4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride has a molecular weight of 2306.10 g/mol, XLogP of 16.81, 24 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-methyl-1-benzofuran-2-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(2-methyl-1,3-dihydroisoindol-5-yl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-methylindazol-3-yl)methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(oxan-3-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylmethoxy)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-(pyridin-2-ylmethoxy)-3H-isoindol-1-one;hydrochloride is sourced from PubChem (CID 159750803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).