tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

C80H114N30O11 — CID 172950753

About tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 172950753) has the molecular formula C80H114N30O11 and a molecular weight of 1671.99 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 172950753
• Molecular Formula: C80H114N30O11
• Molecular Weight: 1671.99 g/mol
• Exact Mass: 1670.93
• IUPAC Name: tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](n2cnnc2-c2cccc(N)n2)C1.CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCCNC2)n1
• InChI: InChI=1S/C23H30N8O4.C18H22N8O2.C17H24N6O2.C12H18N6O.C10H20N2O2/c1-23(2,3)35-22(33)30-11-7-8-15(12-30)31-14-24-27-19(31)17-9-6-10-18(25-17)26-20(32)16-13-29(4)28-21(16)34-5;1-25-10-13(18(24-25)28-2)17(27)22-15-7-3-6-14(21-15)16-23-20-11-26(16)12-5-4-8-19-9-12;1-17(2,3)25-16(24)22-9-5-6-12(10-22)23-11-19-21-15(23)13-7-4-8-14(18)20-13;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6,9-10,13-15H,7-8,11-12H2,1-5H3,(H,25,26,32);3,6-7,10-12,19H,4-5,8-9H2,1-2H3,(H,21,22,27);4,7-8,11-12H,5-6,9-10H2,1-3H3,(H2,18,20);5-9H,1-4H3,(H,16,19);8H,4-7,11H2,1-3H3/b;;;13-8?,14-9+;/t15-;2*12-;;8-/m111.1/s1
• InChIKey: GQVUQPITIWGHIN-WHXWJAROSA-N
• XLogP: 8.54
• TPSA: 468.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 17
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1671.99
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (CID 172950753) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](n2cnnc2-c2cccc(N)n2)C1.CN(C)C=Nc1cccc(C(=O)N/N=C/N(C)C)n1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1.COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2[C@@H]2CCCNC2)n1.

What is the InChIKey of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is GQVUQPITIWGHIN-WHXWJAROSA-N. The full InChI is InChI=1S/C23H30N8O4.C18H22N8O2.C17H24N6O2.C12H18N6O.C10H20N2O2/c1-23(2,3)35-22(33)30-11-7-8-15(12-30)31-14-24-27-19(31)17-9-6-10-18(25-17)26-20(32)16-13-29(4)28-21(16)34-5;1-25-10-13(18(24-25)28-2)17(27)22-15-7-3-6-14(21-15)16-23-20-11-26(16)12-5-4-8-19-9-12;1-17(2,3)25-16(24)22-9-5-6-12(10-22)23-11-19-21-15(23)13-7-4-8-14(18)20-13;1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h6,9-10,13-15H,7-8,11-12H2,1-5H3,(H,25,26,32);3,6-7,10-12,19H,4-5,8-9H2,1-2H3,(H,21,22,27);4,7-8,11-12H,5-6,9-10H2,1-3H3,(H2,18,20);5-9H,1-4H3,(H,16,19);8H,4-7,11H2,1-3H3/b;;;13-8?,14-9+;/t15-;2*12-;;8-/m111.1/s1.

What are the key properties of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 1671.99 g/mol, XLogP of 8.54, 17 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[3-(6-amino-2-pyridinyl)-1,2,4-triazol-4-yl]piperidine-1-carboxylate;tert-butyl (3R)-3-[3-[6-[(3-methoxy-1-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]-1,2,4-triazol-4-yl]piperidine-1-carboxylate;N-[(E)-dimethylaminomethylideneamino]-6-(dimethylaminomethylideneamino)pyridine-2-carboxamide;3-methoxy-1-methyl-N-[6-[4-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 172950753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).