5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride

C170H205Cl2N25O42 — CID 161159185

IUPAC5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CC(O)C1.CC(C)(C)OC(=O)NC1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.CC(C)(C)OC(=O)c1ccc(Cl)nc1.CC(C)(C)OC(=O)c1ccc(N2CCC(C=O)CC2)nc1.CC(C)(C)OC(=O)c1ccc(N2CCC(CO)CC2)nc1.Cl.NC1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.NC1CCC(=O)NC1=O.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1OC(=O)c2cc(O)ccc21.OCC1CCNCC1.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN(C)C5CC(Oc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)nc3)C2(C)C)c2cccnc12
InChIInChI=1S/C48H52N8O7.C22H25N3O7.C17H17N3O5.C16H24N2O3.C16H22N2O3.C13H10N2O5.C10H12ClNO2.C9H17NO3.C8H4O4.C6H13NO.C5H8N2O2.ClH/c1-47(2)45(48(3,4)46(47)63-37-14-12-35(49-5)40-33(37)8-7-19-50-40)53-41(58)28-9-15-38(51-25-28)55-20-17-27(18-21-55)26-54(6)29-22-31(23-29)62-30-10-11-32-34(24-30)44(61)56(43(32)60)36-13-16-39(57)52-42(36)59;1-22(2,3)32-21(30)23-11-8-13(9-11)31-12-4-5-14-15(10-12)20(29)25(19(14)28)16-6-7-17(26)24-18(16)27;18-8-5-10(6-8)25-9-1-2-11-12(7-9)17(24)20(16(11)23)13-3-4-14(21)19-15(13)22;2*1-16(2,3)21-15(20)13-4-5-14(17-10-13)18-8-6-12(11-19)7-9-18;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-10(2,3)14-9(13)7-4-5-8(11)12-6-7;1-9(2,3)13-8(12)10-6-4-7(11)5-6;9-4-1-2-5-6(3-4)8(11)12-7(5)10;8-5-6-1-3-7-4-2-6;6-3-1-2-4(8)7-5(3)9;/h7-12,14-15,19,24-25,27,29,31,36,45-46H,13,16-18,20-23,26H2,1-4,6H3,(H,53,58)(H,52,57,59);4-5,10-11,13,16H,6-9H2,1-3H3,(H,23,30)(H,24,26,27);1-2,7-8,10,13H,3-6,18H2,(H,19,21,22);4-5,10,12,19H,6-9,11H2,1-3H3;4-5,10-12H,6-9H2,1-3H3;1-2,5,9,16H,3-4H2,(H,14,17,18);4-6H,1-3H3;6-7,11H,4-5H2,1-3H3,(H,10,12);1-3,9H;6-8H,1-5H2;3H,1-2,6H2,(H,7,8,9);1H
InChIKeyKWKMZZBKALAQAI-UHFFFAOYSA-N
MW3341.55 g/mol
LogP15.50
Rot. Bonds28

About 5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride

5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride (PubChem CID 161159185) has the molecular formula C170H205Cl2N25O42 and a molecular weight of 3341.55 g/mol. Its IUPAC name is 5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride.

Molecular Properties

Compound Name5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride
PubChem CID161159185
Molecular FormulaC170H205Cl2N25O42
Molecular Weight3341.55 g/mol
Exact Mass3338.41
IUPAC Name5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CC(O)C1.CC(C)(C)OC(=O)NC1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.CC(C)(C)OC(=O)c1ccc(Cl)nc1.CC(C)(C)OC(=O)c1ccc(N2CCC(C=O)CC2)nc1.CC(C)(C)OC(=O)c1ccc(N2CCC(CO)CC2)nc1.Cl.NC1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.NC1CCC(=O)NC1=O.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1OC(=O)c2cc(O)ccc21.OCC1CCNCC1.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN(C)C5CC(Oc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)nc3)C2(C)C)c2cccnc12
InChIInChI=1S/C48H52N8O7.C22H25N3O7.C17H17N3O5.C16H24N2O3.C16H22N2O3.C13H10N2O5.C10H12ClNO2.C9H17NO3.C8H4O4.C6H13NO.C5H8N2O2.ClH/c1-47(2)45(48(3,4)46(47)63-37-14-12-35(49-5)40-33(37)8-7-19-50-40)53-41(58)28-9-15-38(51-25-28)55-20-17-27(18-21-55)26-54(6)29-22-31(23-29)62-30-10-11-32-34(24-30)44(61)56(43(32)60)36-13-16-39(57)52-42(36)59;1-22(2,3)32-21(30)23-11-8-13(9-11)31-12-4-5-14-15(10-12)20(29)25(19(14)28)16-6-7-17(26)24-18(16)27;18-8-5-10(6-8)25-9-1-2-11-12(7-9)17(24)20(16(11)23)13-3-4-14(21)19-15(13)22;2*1-16(2,3)21-15(20)13-4-5-14(17-10-13)18-8-6-12(11-19)7-9-18;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-10(2,3)14-9(13)7-4-5-8(11)12-6-7;1-9(2,3)13-8(12)10-6-4-7(11)5-6;9-4-1-2-5-6(3-4)8(11)12-7(5)10;8-5-6-1-3-7-4-2-6;6-3-1-2-4(8)7-5(3)9;/h7-12,14-15,19,24-25,27,29,31,36,45-46H,13,16-18,20-23,26H2,1-4,6H3,(H,53,58)(H,52,57,59);4-5,10-11,13,16H,6-9H2,1-3H3,(H,23,30)(H,24,26,27);1-2,7-8,10,13H,3-6,18H2,(H,19,21,22);4-5,10,12,19H,6-9,11H2,1-3H3;4-5,10-12H,6-9H2,1-3H3;1-2,5,9,16H,3-4H2,(H,14,17,18);4-6H,1-3H3;6-7,11H,4-5H2,1-3H3,(H,10,12);1-3,9H;6-8H,1-5H2;3H,1-2,6H2,(H,7,8,9);1H
InChIKeyKWKMZZBKALAQAI-UHFFFAOYSA-N
XLogP15.50
TPSA909.38 Ų
H-Bond Donors16
H-Bond Acceptors54
Rotatable Bonds28
Heavy Atoms239
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003341.55
LogP ≤ 515.50
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride?
The IUPAC name of 5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride (CID 161159185) is 5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride.
What is the SMILES notation for 5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride?
The canonical SMILES for 5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride is CC(C)(C)OC(=O)NC1CC(O)C1.CC(C)(C)OC(=O)NC1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.CC(C)(C)OC(=O)c1ccc(Cl)nc1.CC(C)(C)OC(=O)c1ccc(N2CCC(C=O)CC2)nc1.CC(C)(C)OC(=O)c1ccc(N2CCC(CO)CC2)nc1.Cl.NC1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.NC1CCC(=O)NC1=O.O=C1CCC(N2C(=O)c3ccc(O)cc3C2=O)C(=O)N1.O=C1OC(=O)c2cc(O)ccc21.OCC1CCNCC1.[C-]#[N+]c1ccc(OC2C(C)(C)C(NC(=O)c3ccc(N4CCC(CN(C)C5CC(Oc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)C5)CC4)nc3)C2(C)C)c2cccnc12.
What is the InChIKey of 5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride?
The InChIKey is KWKMZZBKALAQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H52N8O7.C22H25N3O7.C17H17N3O5.C16H24N2O3.C16H22N2O3.C13H10N2O5.C10H12ClNO2.C9H17NO3.C8H4O4.C6H13NO.C5H8N2O2.ClH/c1-47(2)45(48(3,4)46(47)63-37-14-12-35(49-5)40-33(37)8-7-19-50-40)53-41(58)28-9-15-38(51-25-28)55-20-17-27(18-21-55)26-54(6)29-22-31(23-29)62-30-10-11-32-34(24-30)44(61)56(43(32)60)36-13-16-39(57)52-42(36)59;1-22(2,3)32-21(30)23-11-8-13(9-11)31-12-4-5-14-15(10-12)20(29)25(19(14)28)16-6-7-17(26)24-18(16)27;18-8-5-10(6-8)25-9-1-2-11-12(7-9)17(24)20(16(11)23)13-3-4-14(21)19-15(13)22;2*1-16(2,3)21-15(20)13-4-5-14(17-10-13)18-8-6-12(11-19)7-9-18;16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18;1-10(2,3)14-9(13)7-4-5-8(11)12-6-7;1-9(2,3)13-8(12)10-6-4-7(11)5-6;9-4-1-2-5-6(3-4)8(11)12-7(5)10;8-5-6-1-3-7-4-2-6;6-3-1-2-4(8)7-5(3)9;/h7-12,14-15,19,24-25,27,29,31,36,45-46H,13,16-18,20-23,26H2,1-4,6H3,(H,53,58)(H,52,57,59);4-5,10-11,13,16H,6-9H2,1-3H3,(H,23,30)(H,24,26,27);1-2,7-8,10,13H,3-6,18H2,(H,19,21,22);4-5,10,12,19H,6-9,11H2,1-3H3;4-5,10-12H,6-9H2,1-3H3;1-2,5,9,16H,3-4H2,(H,14,17,18);4-6H,1-3H3;6-7,11H,4-5H2,1-3H3,(H,10,12);1-3,9H;6-8H,1-5H2;3H,1-2,6H2,(H,7,8,9);1H.
What are the key properties of 5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride?
5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride has a molecular weight of 3341.55 g/mol, XLogP of 15.50, 28 rotatable bonds, 16 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminocyclobutyl)oxy-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;3-aminopiperidine-2,6-dione;tert-butyl 6-chloropyridine-3-carboxylate;tert-butyl N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]carbamate;tert-butyl 6-(4-formylpiperidin-1-yl)pyridine-3-carboxylate;tert-butyl N-(3-hydroxycyclobutyl)carbamate;tert-butyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylate;6-[4-[[[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-methylamino]methyl]piperidin-1-yl]-N-[3-(8-isocyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]pyridine-3-carboxamide;2-(2,6-dioxopiperidin-3-yl)-5-hydroxyisoindole-1,3-dione;5-hydroxy-2-benzofuran-1,3-dione;piperidin-4-ylmethanol;hydrochloride is sourced from PubChem (CID 161159185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).