5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one

C171H185N19O19 — CID 159375250

IUPAC5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(C)ccc4CN)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(-c5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(C)c(CN)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CN5CCOCC5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(CN5CCN(C)CC5)c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C31H31N3O3.C30H36N4O3.C29H33N3O4.C29H27N3O3.2C26H29N3O3/c1-21-2-13-29(30(36)33-21)34-20-26-18-24(10-12-28(26)31(34)37)9-11-27(35)19-25-7-5-22(6-8-25)3-4-23-14-16-32-17-15-23;1-21-6-11-28(29(36)31-21)34-20-25-17-22(8-10-27(25)30(34)37)7-9-26(35)18-23-4-3-5-24(16-23)19-33-14-12-32(2)13-15-33;1-20-2-11-27(28(34)30-20)32-19-24-16-21(8-10-26(24)29(32)35)7-9-25(33)17-22-3-5-23(6-4-22)18-31-12-14-36-15-13-31;1-19-2-11-27(28(34)31-19)32-18-24-16-20(6-10-26(24)29(32)35)5-9-25(33)17-21-3-7-22(8-4-21)23-12-14-30-15-13-23;1-16-3-7-19(14-27)20(11-16)13-22(30)8-5-18-6-9-23-21(12-18)15-29(26(23)32)24-10-4-17(2)28-25(24)31;1-16-3-5-19(12-20(16)14-27)13-22(30)8-6-18-7-9-23-21(11-18)15-29(26(23)32)24-10-4-17(2)28-25(24)31/h5-8,10,12,14-18,29H,1-4,9,11,13,19-20H2,(H,33,36);3-5,8,10,16-17,28H,1,6-7,9,11-15,18-20H2,2H3,(H,31,36);3-6,8,10,16,27H,1-2,7,9,11-15,17-19H2,(H,30,34);3-4,6-8,10,12-16,27H,1-2,5,9,11,17-18H2,(H,31,34);3,6-7,9,11-12,24H,2,4-5,8,10,13-15,27H2,1H3,(H,28,31);3,5,7,9,11-12,24H,2,4,6,8,10,13-15,27H2,1H3,(H,28,31)
InChIKeyLKFQLODABCDJON-UHFFFAOYSA-N
MW2810.47 g/mol
LogP20.43
Rot. Bonds46

About 5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one

5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one (PubChem CID 159375250) has the molecular formula C171H185N19O19 and a molecular weight of 2810.47 g/mol. Its IUPAC name is 5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one
PubChem CID159375250
Molecular FormulaC171H185N19O19
Molecular Weight2810.47 g/mol
Exact Mass2808.41
IUPAC Name5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(C)ccc4CN)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(-c5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(C)c(CN)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CN5CCOCC5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(CN5CCN(C)CC5)c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C31H31N3O3.C30H36N4O3.C29H33N3O4.C29H27N3O3.2C26H29N3O3/c1-21-2-13-29(30(36)33-21)34-20-26-18-24(10-12-28(26)31(34)37)9-11-27(35)19-25-7-5-22(6-8-25)3-4-23-14-16-32-17-15-23;1-21-6-11-28(29(36)31-21)34-20-25-17-22(8-10-27(25)30(34)37)7-9-26(35)18-23-4-3-5-24(16-23)19-33-14-12-32(2)13-15-33;1-20-2-11-27(28(34)30-20)32-19-24-16-21(8-10-26(24)29(32)35)7-9-25(33)17-22-3-5-23(6-4-22)18-31-12-14-36-15-13-31;1-19-2-11-27(28(34)31-19)32-18-24-16-20(6-10-26(24)29(32)35)5-9-25(33)17-21-3-7-22(8-4-21)23-12-14-30-15-13-23;1-16-3-7-19(14-27)20(11-16)13-22(30)8-5-18-6-9-23-21(12-18)15-29(26(23)32)24-10-4-17(2)28-25(24)31;1-16-3-5-19(12-20(16)14-27)13-22(30)8-6-18-7-9-23-21(11-18)15-29(26(23)32)24-10-4-17(2)28-25(24)31/h5-8,10,12,14-18,29H,1-4,9,11,13,19-20H2,(H,33,36);3-5,8,10,16-17,28H,1,6-7,9,11-15,18-20H2,2H3,(H,31,36);3-6,8,10,16,27H,1-2,7,9,11-15,17-19H2,(H,30,34);3-4,6-8,10,12-16,27H,1-2,5,9,11,17-18H2,(H,31,34);3,6-7,9,11-12,24H,2,4-5,8,10,13-15,27H2,1H3,(H,28,31);3,5,7,9,11-12,24H,2,4,6,8,10,13-15,27H2,1H3,(H,28,31)
InChIKeyLKFQLODABCDJON-UHFFFAOYSA-N
XLogP20.43
TPSA495.65 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds46
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002810.47
LogP ≤ 520.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one?
The IUPAC name of 5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one (CID 159375250) is 5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one?
The canonical SMILES for 5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one is C=C1CCC(N2Cc3cc(CCC(=O)Cc4cc(C)ccc4CN)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(-c5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(C)c(CN)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CCc5ccncc5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4ccc(CN5CCOCC5)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)Cc4cccc(CN5CCN(C)CC5)c4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one?
The InChIKey is LKFQLODABCDJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O3.C30H36N4O3.C29H33N3O4.C29H27N3O3.2C26H29N3O3/c1-21-2-13-29(30(36)33-21)34-20-26-18-24(10-12-28(26)31(34)37)9-11-27(35)19-25-7-5-22(6-8-25)3-4-23-14-16-32-17-15-23;1-21-6-11-28(29(36)31-21)34-20-25-17-22(8-10-27(25)30(34)37)7-9-26(35)18-23-4-3-5-24(16-23)19-33-14-12-32(2)13-15-33;1-20-2-11-27(28(34)30-20)32-19-24-16-21(8-10-26(24)29(32)35)7-9-25(33)17-22-3-5-23(6-4-22)18-31-12-14-36-15-13-31;1-19-2-11-27(28(34)31-19)32-18-24-16-20(6-10-26(24)29(32)35)5-9-25(33)17-21-3-7-22(8-4-21)23-12-14-30-15-13-23;1-16-3-7-19(14-27)20(11-16)13-22(30)8-5-18-6-9-23-21(12-18)15-29(26(23)32)24-10-4-17(2)28-25(24)31;1-16-3-5-19(12-20(16)14-27)13-22(30)8-6-18-7-9-23-21(11-18)15-29(26(23)32)24-10-4-17(2)28-25(24)31/h5-8,10,12,14-18,29H,1-4,9,11,13,19-20H2,(H,33,36);3-5,8,10,16-17,28H,1,6-7,9,11-15,18-20H2,2H3,(H,31,36);3-6,8,10,16,27H,1-2,7,9,11-15,17-19H2,(H,30,34);3-4,6-8,10,12-16,27H,1-2,5,9,11,17-18H2,(H,31,34);3,6-7,9,11-12,24H,2,4-5,8,10,13-15,27H2,1H3,(H,28,31);3,5,7,9,11-12,24H,2,4,6,8,10,13-15,27H2,1H3,(H,28,31).
What are the key properties of 5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one?
5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one has a molecular weight of 2810.47 g/mol, XLogP of 20.43, 46 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(aminomethyl)-5-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[4-[3-(aminomethyl)-4-methylphenyl]-3-oxobutyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[4-[4-(morpholin-4-ylmethyl)phenyl]-3-oxobutyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-[4-(2-pyridin-4-ylethyl)phenyl]butyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-4-(4-pyridin-4-ylphenyl)butyl]-3H-isoindol-1-one is sourced from PubChem (CID 159375250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).