4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide

C174H186N20O25S — CID 158089984

IUPAC4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESC=C1CCC(N2Cc3c(OCC4CCC(C)CC4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCCc4cc5ccccc5o4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cc5cc(CN(CC)CC)ccc5o4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(C(=O)NCCN5CCOCC5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(CNCCCCCC)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nc5ccccc5s4)cccc3C2=O)C(=O)N1.[C-]#[N+]c1ccc(COc2cccc3c2CN(C2CCC(=C)NC2=O)C3=O)cc1
InChIInChI=1S/C28H32N4O5.C28H31N3O4.C28H35N3O3.C24H22N2O4.C22H19N3O3S.C22H19N3O3.C22H28N2O3/c1-19-5-10-24(27(34)30-19)32-17-23-22(28(32)35)3-2-4-25(23)37-18-20-6-8-21(9-7-20)26(33)29-11-12-31-13-15-36-16-14-31;1-4-30(5-2)15-19-10-12-25-20(13-19)14-21(35-25)17-34-26-8-6-7-22-23(26)16-31(28(22)33)24-11-9-18(3)29-27(24)32;1-3-4-5-6-16-29-17-21-11-13-22(14-12-21)19-34-26-9-7-8-23-24(26)18-31(28(23)33)25-15-10-20(2)30-27(25)32;1-15-9-10-20(23(27)25-15)26-14-19-18(24(26)28)6-4-8-22(19)29-12-11-17-13-16-5-2-3-7-21(16)30-17;1-13-9-10-17(21(26)23-13)25-11-15-14(22(25)27)5-4-7-18(15)28-12-20-24-16-6-2-3-8-19(16)29-20;1-14-6-11-19(21(26)24-14)25-12-18-17(22(25)27)4-3-5-20(18)28-13-15-7-9-16(23-2)10-8-15;1-14-6-9-16(10-7-14)13-27-20-5-3-4-17-18(20)12-24(22(17)26)19-11-8-15(2)23-21(19)25/h2-4,6-9,24H,1,5,10-18H2,(H,29,33)(H,30,34);6-8,10,12-14,24H,3-5,9,11,15-17H2,1-2H3,(H,29,32);7-9,11-14,25,29H,2-6,10,15-19H2,1H3,(H,30,32);2-8,13,20H,1,9-12,14H2,(H,25,27);2-8,17H,1,9-12H2,(H,23,26);3-5,7-10,19H,1,6,11-13H2,(H,24,26);3-5,14,16,19H,2,6-13H2,1H3,(H,23,25)
InChIKeyFNZFMPMOMVCKIQ-UHFFFAOYSA-N
MW2989.58 g/mol
LogP25.99
Rot. Bonds44

About 4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide

4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 158089984) has the molecular formula C174H186N20O25S and a molecular weight of 2989.58 g/mol. Its IUPAC name is 4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID158089984
Molecular FormulaC174H186N20O25S
Molecular Weight2989.58 g/mol
Exact Mass2987.36
IUPAC Name4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESC=C1CCC(N2Cc3c(OCC4CCC(C)CC4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCCc4cc5ccccc5o4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cc5cc(CN(CC)CC)ccc5o4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(C(=O)NCCN5CCOCC5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(CNCCCCCC)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nc5ccccc5s4)cccc3C2=O)C(=O)N1.[C-]#[N+]c1ccc(COc2cccc3c2CN(C2CCC(=C)NC2=O)C3=O)cc1
InChIInChI=1S/C28H32N4O5.C28H31N3O4.C28H35N3O3.C24H22N2O4.C22H19N3O3S.C22H19N3O3.C22H28N2O3/c1-19-5-10-24(27(34)30-19)32-17-23-22(28(32)35)3-2-4-25(23)37-18-20-6-8-21(9-7-20)26(33)29-11-12-31-13-15-36-16-14-31;1-4-30(5-2)15-19-10-12-25-20(13-19)14-21(35-25)17-34-26-8-6-7-22-23(26)16-31(28(22)33)24-11-9-18(3)29-27(24)32;1-3-4-5-6-16-29-17-21-11-13-22(14-12-21)19-34-26-9-7-8-23-24(26)18-31(28(23)33)25-15-10-20(2)30-27(25)32;1-15-9-10-20(23(27)25-15)26-14-19-18(24(26)28)6-4-8-22(19)29-12-11-17-13-16-5-2-3-7-21(16)30-17;1-13-9-10-17(21(26)23-13)25-11-15-14(22(25)27)5-4-7-18(15)28-12-20-24-16-6-2-3-8-19(16)29-20;1-14-6-11-19(21(26)24-14)25-12-18-17(22(25)27)4-3-5-20(18)28-13-15-7-9-16(23-2)10-8-15;1-14-6-9-16(10-7-14)13-27-20-5-3-4-17-18(20)12-24(22(17)26)19-11-8-15(2)23-21(19)25/h2-4,6-9,24H,1,5,10-18H2,(H,29,33)(H,30,34);6-8,10,12-14,24H,3-5,9,11,15-17H2,1-2H3,(H,29,32);7-9,11-14,25,29H,2-6,10,15-19H2,1H3,(H,30,32);2-8,13,20H,1,9-12,14H2,(H,25,27);2-8,17H,1,9-12H2,(H,23,26);3-5,7-10,19H,1,6,11-13H2,(H,24,26);3-5,14,16,19H,2,6-13H2,1H3,(H,23,25)
InChIKeyFNZFMPMOMVCKIQ-UHFFFAOYSA-N
XLogP25.99
TPSA510.85 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds44
Heavy Atoms220
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002989.58
LogP ≤ 525.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 158089984) is 4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide is C=C1CCC(N2Cc3c(OCC4CCC(C)CC4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCCc4cc5ccccc5o4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4cc5cc(CN(CC)CC)ccc5o4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(C(=O)NCCN5CCOCC5)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4ccc(CNCCCCCC)cc4)cccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3c(OCc4nc5ccccc5s4)cccc3C2=O)C(=O)N1.[C-]#[N+]c1ccc(COc2cccc3c2CN(C2CCC(=C)NC2=O)C3=O)cc1.
What is the InChIKey of 4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is FNZFMPMOMVCKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5.C28H31N3O4.C28H35N3O3.C24H22N2O4.C22H19N3O3S.C22H19N3O3.C22H28N2O3/c1-19-5-10-24(27(34)30-19)32-17-23-22(28(32)35)3-2-4-25(23)37-18-20-6-8-21(9-7-20)26(33)29-11-12-31-13-15-36-16-14-31;1-4-30(5-2)15-19-10-12-25-20(13-19)14-21(35-25)17-34-26-8-6-7-22-23(26)16-31(28(22)33)24-11-9-18(3)29-27(24)32;1-3-4-5-6-16-29-17-21-11-13-22(14-12-21)19-34-26-9-7-8-23-24(26)18-31(28(23)33)25-15-10-20(2)30-27(25)32;1-15-9-10-20(23(27)25-15)26-14-19-18(24(26)28)6-4-8-22(19)29-12-11-17-13-16-5-2-3-7-21(16)30-17;1-13-9-10-17(21(26)23-13)25-11-15-14(22(25)27)5-4-7-18(15)28-12-20-24-16-6-2-3-8-19(16)29-20;1-14-6-11-19(21(26)24-14)25-12-18-17(22(25)27)4-3-5-20(18)28-13-15-7-9-16(23-2)10-8-15;1-14-6-9-16(10-7-14)13-27-20-5-3-4-17-18(20)12-24(22(17)26)19-11-8-15(2)23-21(19)25/h2-4,6-9,24H,1,5,10-18H2,(H,29,33)(H,30,34);6-8,10,12-14,24H,3-5,9,11,15-17H2,1-2H3,(H,29,32);7-9,11-14,25,29H,2-6,10,15-19H2,1H3,(H,30,32);2-8,13,20H,1,9-12,14H2,(H,25,27);2-8,17H,1,9-12H2,(H,23,26);3-5,7-10,19H,1,6,11-13H2,(H,24,26);3-5,14,16,19H,2,6-13H2,1H3,(H,23,25).
What are the key properties of 4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide?
4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 2989.58 g/mol, XLogP of 25.99, 44 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzofuran-2-yl)ethoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-(1,3-benzothiazol-2-ylmethoxy)-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[5-(diethylaminomethyl)-1-benzofuran-2-yl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[4-[(hexylamino)methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-isocyanophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[(4-methylcyclohexyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;4-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 158089984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).