tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid

C138H193Cl7F3N33O25 — CID 157156278

About tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid

tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid (PubChem CID 157156278) has the molecular formula C138H193Cl7F3N33O25 and a molecular weight of 3019.43 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid
• PubChem CID: 157156278
• Molecular Formula: C138H193Cl7F3N33O25
• Molecular Weight: 3019.43 g/mol
• Exact Mass: 3014.26
• IUPAC Name: tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccnc(Cl)c2[N+](=O)[O-])C1.CC(C)(C)OC(=O)N[C@@H]1CCCNC1.CN.CN1C(=O)Cc2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.CNc1nccc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1N.CNc1nccc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-].ClCc1ccccc1Cl.Cn1c(=O)n(Cc2ccccc2Cl)c2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.Cn1c(=O)n(Cc2ccccc2Cl)c2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.O=C(O)C(F)(F)F.O=[N+]([O-])c1c(Cl)ccnc1Cl
• InChI: InChI=1S/2C24H30ClN5O3.C18H26N4O3.C16H25N5O4.C16H27N5O2.C15H21ClN4O4.C10H20N2O2.C7H6Cl2.C5H2Cl2N2O2.C2HF3O2.CH5N/c2*1-24(2,3)33-22(31)27-17-9-7-13-29(15-17)19-11-12-26-21-20(19)30(23(32)28(21)4)14-16-8-5-6-10-18(16)25;1-18(2,3)25-17(24)20-12-6-5-9-22(11-12)14-7-8-19-16-13(14)10-15(23)21(16)4;1-16(2,3)25-15(22)19-11-6-5-9-20(10-11)12-7-8-18-14(17-4)13(12)21(23)24;1-16(2,3)23-15(22)20-11-6-5-9-21(10-11)12-7-8-19-14(18-4)13(12)17;1-15(2,3)24-14(21)18-10-5-4-8-19(9-10)11-6-7-17-13(16)12(11)20(22)23;1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;8-5-6-3-1-2-4-7(6)9;6-3-1-2-8-5(7)4(3)9(10)11;3-2(4,5)1(6)7;1-2/h2*5-6,8,10-12,17H,7,9,13-15H2,1-4H3,(H,27,31);7-8,12H,5-6,9-11H2,1-4H3,(H,20,24);7-8,11H,5-6,9-10H2,1-4H3,(H,17,18)(H,19,22);7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19)(H,20,22);6-7,10H,4-5,8-9H2,1-3H3,(H,18,21);8,11H,4-7H2,1-3H3,(H,12,13);1-4H,5H2;1-2H;(H,6,7);2H2,1H3/t2*17-;12-;2*11-;10-;8-;;;;/m1111111..../s1
• InChIKey: ZBARPXPMSGUKTM-XVOCDEJPSA-N
• XLogP: 24.66
• TPSA: 707.00 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 46
• Rotatable Bonds: 23
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3019.43
LogP ≤ 5	24.66
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid?

The IUPAC name of tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid (CID 157156278) is tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid?

The canonical SMILES for tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ccnc(Cl)c2[N+](=O)[O-])C1.CC(C)(C)OC(=O)N[C@@H]1CCCNC1.CN.CN1C(=O)Cc2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.CNc1nccc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1N.CNc1nccc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c1[N+](=O)[O-].ClCc1ccccc1Cl.Cn1c(=O)n(Cc2ccccc2Cl)c2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.Cn1c(=O)n(Cc2ccccc2Cl)c2c(N3CCC[C@@H](NC(=O)OC(C)(C)C)C3)ccnc21.O=C(O)C(F)(F)F.O=[N+]([O-])c1c(Cl)ccnc1Cl.

What is the InChIKey of tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid?

The InChIKey is ZBARPXPMSGUKTM-XVOCDEJPSA-N. The full InChI is InChI=1S/2C24H30ClN5O3.C18H26N4O3.C16H25N5O4.C16H27N5O2.C15H21ClN4O4.C10H20N2O2.C7H6Cl2.C5H2Cl2N2O2.C2HF3O2.CH5N/c2*1-24(2,3)33-22(31)27-17-9-7-13-29(15-17)19-11-12-26-21-20(19)30(23(32)28(21)4)14-16-8-5-6-10-18(16)25;1-18(2,3)25-17(24)20-12-6-5-9-22(11-12)14-7-8-19-16-13(14)10-15(23)21(16)4;1-16(2,3)25-15(22)19-11-6-5-9-20(10-11)12-7-8-18-14(17-4)13(12)21(23)24;1-16(2,3)23-15(22)20-11-6-5-9-21(10-11)12-7-8-19-14(18-4)13(12)17;1-15(2,3)24-14(21)18-10-5-4-8-19(9-10)11-6-7-17-13(16)12(11)20(22)23;1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;8-5-6-3-1-2-4-7(6)9;6-3-1-2-8-5(7)4(3)9(10)11;3-2(4,5)1(6)7;1-2/h2*5-6,8,10-12,17H,7,9,13-15H2,1-4H3,(H,27,31);7-8,12H,5-6,9-11H2,1-4H3,(H,20,24);7-8,11H,5-6,9-10H2,1-4H3,(H,17,18)(H,19,22);7-8,11H,5-6,9-10,17H2,1-4H3,(H,18,19)(H,20,22);6-7,10H,4-5,8-9H2,1-3H3,(H,18,21);8,11H,4-7H2,1-3H3,(H,12,13);1-4H,5H2;1-2H;(H,6,7);2H2,1H3/t2*17-;12-;2*11-;10-;8-;;;;/m1111111..../s1.

What are the key properties of tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid?

tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 3019.43 g/mol, XLogP of 24.66, 23 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(3R)-1-[3-amino-2-(methylamino)-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(2-chloro-3-nitro-4-pyridinyl)piperidin-3-yl]carbamate;bis(tert-butyl N-[(3R)-1-[1-[(2-chlorophenyl)methyl]-3-methyl-2-oxoimidazo[4,5-b]pyridin-7-yl]piperidin-3-yl]carbamate);tert-butyl N-[(3R)-1-[2-(methylamino)-3-nitro-4-pyridinyl]piperidin-3-yl]carbamate;tert-butyl N-[(3R)-1-(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-yl]carbamate;tert-butyl N-[(3R)-piperidin-3-yl]carbamate;1-chloro-2-(chloromethyl)benzene;2,4-dichloro-3-nitropyridine;methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 157156278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).