tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione

C329H410Cl10F3N49O32 — CID 167560923

About tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione

tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione (PubChem CID 167560923) has the molecular formula C329H410Cl10F3N49O32 and a molecular weight of 5974.73 g/mol. Its IUPAC name is tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione.

Molecular Properties

• Compound Name: tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
• PubChem CID: 167560923
• Molecular Formula: C329H410Cl10F3N49O32
• Molecular Weight: 5974.73 g/mol
• Exact Mass: 5965.88
• IUPAC Name: tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione
• SMILES: CC(C)(C)OC(=O)N1CCC(C=O)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)c1ccc(F)cc1.CC1NCCC12CCN(C(=O)OC(C)(C)C)CC2.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.[C-]#[N+]c1ccc(F)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCN(CC6CCC(C(=O)OC(C)(C)C)CC6)CC5)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCN(CC6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCN(CC6CCNCC6)CC5)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCNCC5)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)O)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)OC(C)(C)C)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCNCC3)C2C)cc1Cl
• InChI: InChI=1S/C46H51ClN8O5.C39H52ClN5O3.C33H43ClN6O.C32H40ClN5O3.C27H32ClN5O.C27H32ClN3O2.C23H24ClN3O2.C21H28ClN3O2.C16H20ClN3.C14H26N2O2.C13H9FN2O4.C11H13FO2.C11H19NO3.C9H18N2O2.C7H3ClFN/c1-30-46(17-22-54(30)35-8-10-39(48-2)38(47)28-35)15-20-52(21-16-46)33-5-3-32(4-6-33)43(58)53-25-23-50(24-26-53)29-31-13-18-51(19-14-31)34-7-9-36-37(27-34)45(60)55(44(36)59)40-11-12-41(56)49-42(40)57;1-28-39(18-21-45(28)33-14-15-35(41-5)34(40)26-33)16-19-43(20-17-39)32-12-10-30(11-13-32)36(46)44-24-22-42(23-25-44)27-29-6-8-31(9-7-29)37(47)48-38(2,3)4;1-25-33(13-18-40(25)29-7-8-31(35-2)30(34)23-29)11-16-38(17-12-33)28-5-3-27(4-6-28)32(41)39-21-19-37(20-22-39)24-26-9-14-36-15-10-26;1-23-32(14-17-38(23)26-10-11-28(34-5)27(33)22-26)12-15-35(16-13-32)25-8-6-24(7-9-25)29(39)36-18-20-37(21-19-36)30(40)41-31(2,3)4;1-20-27(11-16-33(20)23-7-8-25(29-2)24(28)19-23)9-14-31(15-10-27)22-5-3-21(4-6-22)26(34)32-17-12-30-13-18-32;1-19-27(14-17-31(19)22-10-11-24(29-5)23(28)18-22)12-15-30(16-13-27)21-8-6-20(7-9-21)25(32)33-26(2,3)4;1-16-23(11-14-27(16)19-7-8-21(25-2)20(24)15-19)9-12-26(13-10-23)18-5-3-17(4-6-18)22(28)29;1-15-21(8-11-24(12-9-21)19(26)27-20(2,3)4)10-13-25(15)16-6-7-18(23-5)17(22)14-16;1-12-16(5-8-19-9-6-16)7-10-20(12)13-3-4-15(18-2)14(17)11-13;1-11-14(5-8-15-11)6-9-16(10-7-14)12(17)18-13(2,3)4;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-10-7-3-2-5(9)4-6(7)8/h3-10,27-28,30-31,40H,11-26,29H2,1H3,(H,49,56,57);10-15,26,28-29,31H,6-9,16-25,27H2,1-4H3;3-8,23,25-26,36H,9-22,24H2,1H3;6-11,22-23H,12-21H2,1-4H3;3-8,19-20,30H,9-18H2,1H3;6-11,18-19H,12-17H2,1-4H3;3-8,15-16H,9-14H2,1H3,(H,28,29);6-7,14-15H,8-13H2,1-4H3;3-4,11-12,19H,5-10H2,1H3;11,15H,5-10H2,1-4H3;1-2,5,9H,3-4H2,(H,15,17,18);4-7H,1-3H3;8-9H,4-7H2,1-3H3;10H,4-7H2,1-3H3;2-4H
• InChIKey: DQKUJIMMOVNAQS-UHFFFAOYSA-N
• XLogP: 63.01
• TPSA: 718.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 56
• Rotatable Bonds: 35
• Heavy Atoms: 423
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5974.73
LogP ≤ 5	63.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione?

The IUPAC name of tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione (CID 167560923) is tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione.

What is the SMILES notation for tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione?

The canonical SMILES for tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione is CC(C)(C)OC(=O)N1CCC(C=O)CC1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)c1ccc(F)cc1.CC1NCCC12CCN(C(=O)OC(C)(C)C)CC2.O=C1CCC(N2C(=O)c3ccc(F)cc3C2=O)C(=O)N1.[C-]#[N+]c1ccc(F)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(C(=O)OC(C)(C)C)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCN(C(=O)OC(C)(C)C)CC5)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCN(CC6CCC(C(=O)OC(C)(C)C)CC6)CC5)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCN(CC6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCN(CC6CCNCC6)CC5)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)N5CCNCC5)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)O)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCN(c4ccc(C(=O)OC(C)(C)C)cc4)CC3)C2C)cc1Cl.[C-]#[N+]c1ccc(N2CCC3(CCNCC3)C2C)cc1Cl.

What is the InChIKey of tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione?

The InChIKey is DQKUJIMMOVNAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H51ClN8O5.C39H52ClN5O3.C33H43ClN6O.C32H40ClN5O3.C27H32ClN5O.C27H32ClN3O2.C23H24ClN3O2.C21H28ClN3O2.C16H20ClN3.C14H26N2O2.C13H9FN2O4.C11H13FO2.C11H19NO3.C9H18N2O2.C7H3ClFN/c1-30-46(17-22-54(30)35-8-10-39(48-2)38(47)28-35)15-20-52(21-16-46)33-5-3-32(4-6-33)43(58)53-25-23-50(24-26-53)29-31-13-18-51(19-14-31)34-7-9-36-37(27-34)45(60)55(44(36)59)40-11-12-41(56)49-42(40)57;1-28-39(18-21-45(28)33-14-15-35(41-5)34(40)26-33)16-19-43(20-17-39)32-12-10-30(11-13-32)36(46)44-24-22-42(23-25-44)27-29-6-8-31(9-7-29)37(47)48-38(2,3)4;1-25-33(13-18-40(25)29-7-8-31(35-2)30(34)23-29)11-16-38(17-12-33)28-5-3-27(4-6-28)32(41)39-21-19-37(20-22-39)24-26-9-14-36-15-10-26;1-23-32(14-17-38(23)26-10-11-28(34-5)27(33)22-26)12-15-35(16-13-32)25-8-6-24(7-9-25)29(39)36-18-20-37(21-19-36)30(40)41-31(2,3)4;1-20-27(11-16-33(20)23-7-8-25(29-2)24(28)19-23)9-14-31(15-10-27)22-5-3-21(4-6-22)26(34)32-17-12-30-13-18-32;1-19-27(14-17-31(19)22-10-11-24(29-5)23(28)18-22)12-15-30(16-13-27)21-8-6-20(7-9-21)25(32)33-26(2,3)4;1-16-23(11-14-27(16)19-7-8-21(25-2)20(24)15-19)9-12-26(13-10-23)18-5-3-17(4-6-18)22(28)29;1-15-21(8-11-24(12-9-21)19(26)27-20(2,3)4)10-13-25(15)16-6-7-18(23-5)17(22)14-16;1-12-16(5-8-19-9-6-16)7-10-20(12)13-3-4-15(18-2)14(17)11-13;1-11-14(5-8-15-11)6-9-16(10-7-14)12(17)18-13(2,3)4;14-6-1-2-7-8(5-6)13(20)16(12(7)19)9-3-4-10(17)15-11(9)18;1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-10-7-3-2-5(9)4-6(7)8/h3-10,27-28,30-31,40H,11-26,29H2,1H3,(H,49,56,57);10-15,26,28-29,31H,6-9,16-25,27H2,1-4H3;3-8,23,25-26,36H,9-22,24H2,1H3;6-11,22-23H,12-21H2,1-4H3;3-8,19-20,30H,9-18H2,1H3;6-11,18-19H,12-17H2,1-4H3;3-8,15-16H,9-14H2,1H3,(H,28,29);6-7,14-15H,8-13H2,1-4H3;3-4,11-12,19H,5-10H2,1H3;11,15H,5-10H2,1-4H3;1-2,5,9H,3-4H2,(H,15,17,18);4-7H,1-3H3;8-9H,4-7H2,1-3H3;10H,4-7H2,1-3H3;2-4H.

What are the key properties of tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione?

tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione has a molecular weight of 5974.73 g/mol, XLogP of 63.01, 35 rotatable bonds, 8 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl 4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoate;tert-butyl 4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]cyclohexane-1-carboxylate;tert-butyl 4-fluorobenzoate;tert-butyl 4-formylpiperidine-1-carboxylate;tert-butyl 1-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate;tert-butyl piperazine-1-carboxylate;2-chloro-4-fluoro-1-isocyanobenzene;2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decane;4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoic acid;5-[4-[[4-[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperazin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-piperazin-1-ylmethanone;[4-[2-(3-chloro-4-isocyanophenyl)-1-methyl-2,8-diazaspiro[4.5]decan-8-yl]phenyl]-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;2-(2,6-dioxopiperidin-3-yl)-5-fluoroisoindole-1,3-dione is sourced from PubChem (CID 167560923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).