tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline

C143H178Cl3F5N22O26 — CID 157305505

About tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline

tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline (PubChem CID 157305505) has the molecular formula C143H178Cl3F5N22O26 and a molecular weight of 2822.47 g/mol. Its IUPAC name is tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline.

Molecular Properties

• Compound Name: tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline
• PubChem CID: 157305505
• Molecular Formula: C143H178Cl3F5N22O26
• Molecular Weight: 2822.47 g/mol
• Exact Mass: 2819.23
• IUPAC Name: tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline
• SMILES: C=CC(=O)N1CCCC(Nc2nc(Nc3ccc(OCCOC)cc3)c3c(c2F)CNC3=O)C1.CC(C)(C)OC(=O)N1CCCC(N)C1.COCCOc1ccc(N)cc1.COCCOc1ccc(Nc2nc(CC3CCCN(C(=O)OC(C)(C)C)C3)c(F)c3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)cc1.COCCOc1ccc(Nc2nc(NC3CCCNC3)c(F)c3c2C(=O)NC3)cc1.COc1ccc(CN2Cc3c(F)c(CC4CCCN(C(=O)OC(C)(C)C)C4)nc(Cl)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3c(F)c(Cl)nc(Cl)c3C2=O)c(OC)c1
• InChI: InChI=1S/C36H45FN4O7.C27H33ClFN3O5.C24H28FN5O4.C21H26FN5O3.C16H13Cl2FN2O3.C10H20N2O2.C9H13NO2/c1-36(2,3)48-35(43)40-15-7-8-23(20-40)18-29-32(37)28-22-41(21-24-9-12-27(45-5)19-30(24)46-6)34(42)31(28)33(39-29)38-25-10-13-26(14-11-25)47-17-16-44-4;1-27(2,3)37-26(34)31-10-6-7-16(13-31)11-20-23(29)19-15-32(25(33)22(19)24(28)30-20)14-17-8-9-18(35-4)12-21(17)36-5;1-3-19(31)30-10-4-5-16(14-30)28-23-21(25)18-13-26-24(32)20(18)22(29-23)27-15-6-8-17(9-7-15)34-12-11-33-2;1-29-9-10-30-15-6-4-13(5-7-15)25-19-17-16(12-24-21(17)28)18(22)20(27-19)26-14-3-2-8-23-11-14;1-23-9-4-3-8(11(5-9)24-2)6-21-7-10-12(16(21)22)14(17)20-15(18)13(10)19;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-11-6-7-12-9-4-2-8(10)3-5-9/h9-14,19,23H,7-8,15-18,20-22H2,1-6H3,(H,38,39);8-9,12,16H,6-7,10-11,13-15H2,1-5H3;3,6-9,16H,1,4-5,10-14H2,2H3,(H,26,32)(H2,27,28,29);4-7,14,23H,2-3,8-12H2,1H3,(H,24,28)(H2,25,26,27);3-5H,6-7H2,1-2H3;8H,4-7,11H2,1-3H3;2-5H,6-7,10H2,1H3
• InChIKey: BCKMGHPJYDCNQM-UHFFFAOYSA-N
• XLogP: 23.15
• TPSA: 545.95 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 43
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2822.47
LogP ≤ 5	23.15
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline?

The IUPAC name of tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline (CID 157305505) is tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline.

What is the SMILES notation for tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline?

The canonical SMILES for tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline is C=CC(=O)N1CCCC(Nc2nc(Nc3ccc(OCCOC)cc3)c3c(c2F)CNC3=O)C1.CC(C)(C)OC(=O)N1CCCC(N)C1.COCCOc1ccc(N)cc1.COCCOc1ccc(Nc2nc(CC3CCCN(C(=O)OC(C)(C)C)C3)c(F)c3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)cc1.COCCOc1ccc(Nc2nc(NC3CCCNC3)c(F)c3c2C(=O)NC3)cc1.COc1ccc(CN2Cc3c(F)c(CC4CCCN(C(=O)OC(C)(C)C)C4)nc(Cl)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3c(F)c(Cl)nc(Cl)c3C2=O)c(OC)c1.

What is the InChIKey of tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline?

The InChIKey is BCKMGHPJYDCNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45FN4O7.C27H33ClFN3O5.C24H28FN5O4.C21H26FN5O3.C16H13Cl2FN2O3.C10H20N2O2.C9H13NO2/c1-36(2,3)48-35(43)40-15-7-8-23(20-40)18-29-32(37)28-22-41(21-24-9-12-27(45-5)19-30(24)46-6)34(42)31(28)33(39-29)38-25-10-13-26(14-11-25)47-17-16-44-4;1-27(2,3)37-26(34)31-10-6-7-16(13-31)11-20-23(29)19-15-32(25(33)22(19)24(28)30-20)14-17-8-9-18(35-4)12-21(17)36-5;1-3-19(31)30-10-4-5-16(14-30)28-23-21(25)18-13-26-24(32)20(18)22(29-23)27-15-6-8-17(9-7-15)34-12-11-33-2;1-29-9-10-30-15-6-4-13(5-7-15)25-19-17-16(12-24-21(17)28)18(22)20(27-19)26-14-3-2-8-23-11-14;1-23-9-4-3-8(11(5-9)24-2)6-21-7-10-12(16(21)22)14(17)20-15(18)13(10)19;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-11-6-7-12-9-4-2-8(10)3-5-9/h9-14,19,23H,7-8,15-18,20-22H2,1-6H3,(H,38,39);8-9,12,16H,6-7,10-11,13-15H2,1-5H3;3,6-9,16H,1,4-5,10-14H2,2H3,(H,26,32)(H2,27,28,29);4-7,14,23H,2-3,8-12H2,1H3,(H,24,28)(H2,25,26,27);3-5H,6-7H2,1-2H3;8H,4-7,11H2,1-3H3;2-5H,6-7,10H2,1H3.

What are the key properties of tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline?

tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline has a molecular weight of 2822.47 g/mol, XLogP of 23.15, 43 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-aminopiperidine-1-carboxylate;tert-butyl 3-[[4-chloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;tert-butyl 3-[[2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-4-[4-(2-methoxyethoxy)anilino]-3-oxo-1H-pyrrolo[3,4-c]pyridin-6-yl]methyl]piperidine-1-carboxylate;4,6-dichloro-2-[(2,4-dimethoxyphenyl)methyl]-7-fluoro-1H-pyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-(piperidin-3-ylamino)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;7-fluoro-4-[4-(2-methoxyethoxy)anilino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one;4-(2-methoxyethoxy)aniline is sourced from PubChem (CID 157305505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).