1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate

C146H210Br4Cl2I2N26O19 — CID 162141554

About 1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate

1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 162141554) has the molecular formula C146H210Br4Cl2I2N26O19 and a molecular weight of 3277.78 g/mol. Its IUPAC name is 1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
• PubChem CID: 162141554
• Molecular Formula: C146H210Br4Cl2I2N26O19
• Molecular Weight: 3277.78 g/mol
• Exact Mass: 3271.05
• IUPAC Name: 1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
• SMILES: CC(C)OC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC2)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(C)C1.COC(=O)c1cc(Cl)cnc1N1CCC(NC2CCCCC2)C(O)C1.COC(=O)c1cc(Cl)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc(I)cnc1N1CCC(NC2CCCC2)C(O)C1.COC(=O)c1cc(I)cnc1N1CCC(NC2CCCCC2)C(O)C1.Cc1noc(-c2cc(Br)cnc2N2CCC(NC3CCCCC3)CC2)n1
• InChI: InChI=1S/C20H30BrN3O2.C19H26BrN5O.C19H28BrN3O2.C18H26ClN3O3.C18H26ClN3O2.C18H26IN3O3.C17H24BrN3O3.C17H24IN3O3/c1-14(2)26-20(25)18-12-15(21)13-22-19(18)24-10-8-17(9-11-24)23-16-6-4-3-5-7-16;1-13-22-19(26-24-13)17-11-14(20)12-21-18(17)25-9-7-16(8-10-25)23-15-5-3-2-4-6-15;1-13-12-23(9-8-17(13)22-15-6-4-3-5-7-15)18-16(19(24)25-2)10-14(20)11-21-18;1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13;1-24-18(23)16-11-13(19)12-20-17(16)22-9-7-15(8-10-22)21-14-5-3-2-4-6-14;1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13;2*1-24-17(23)13-8-11(18)9-19-16(13)21-7-6-14(15(22)10-21)20-12-4-2-3-5-12/h12-14,16-17,23H,3-11H2,1-2H3;11-12,15-16,23H,2-10H2,1H3;10-11,13,15,17,22H,3-9,12H2,1-2H3;9-10,13,15-16,21,23H,2-8,11H2,1H3;11-12,14-15,21H,2-10H2,1H3;9-10,13,15-16,21,23H,2-8,11H2,1H3;2*8-9,12,14-15,20,22H,2-7,10H2,1H3
• InChIKey: ZJZKSYNMJFTXKK-UHFFFAOYSA-N
• XLogP: 24.34
• TPSA: 529.22 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 45
• Rotatable Bonds: 33
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3277.78
LogP ≤ 5	24.34
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate?

The IUPAC name of 1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate (CID 162141554) is 1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate.

What is the SMILES notation for 1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate?

The canonical SMILES for 1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate is CC(C)OC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC2)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(C)C1.COC(=O)c1cc(Cl)cnc1N1CCC(NC2CCCCC2)C(O)C1.COC(=O)c1cc(Cl)cnc1N1CCC(NC2CCCCC2)CC1.COC(=O)c1cc(I)cnc1N1CCC(NC2CCCC2)C(O)C1.COC(=O)c1cc(I)cnc1N1CCC(NC2CCCCC2)C(O)C1.Cc1noc(-c2cc(Br)cnc2N2CCC(NC3CCCCC3)CC2)n1.

What is the InChIKey of 1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate?

The InChIKey is ZJZKSYNMJFTXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30BrN3O2.C19H26BrN5O.C19H28BrN3O2.C18H26ClN3O3.C18H26ClN3O2.C18H26IN3O3.C17H24BrN3O3.C17H24IN3O3/c1-14(2)26-20(25)18-12-15(21)13-22-19(18)24-10-8-17(9-11-24)23-16-6-4-3-5-7-16;1-13-22-19(26-24-13)17-11-14(20)12-21-18(17)25-9-7-16(8-10-25)23-15-5-3-2-4-6-15;1-13-12-23(9-8-17(13)22-15-6-4-3-5-7-15)18-16(19(24)25-2)10-14(20)11-21-18;1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13;1-24-18(23)16-11-13(19)12-20-17(16)22-9-7-15(8-10-22)21-14-5-3-2-4-6-14;1-25-18(24)14-9-12(19)10-20-17(14)22-8-7-15(16(23)11-22)21-13-5-3-2-4-6-13;2*1-24-17(23)13-8-11(18)9-19-16(13)21-7-6-14(15(22)10-21)20-12-4-2-3-5-12/h12-14,16-17,23H,3-11H2,1-2H3;11-12,15-16,23H,2-10H2,1H3;10-11,13,15,17,22H,3-9,12H2,1-2H3;9-10,13,15-16,21,23H,2-8,11H2,1H3;11-12,14-15,21H,2-10H2,1H3;9-10,13,15-16,21,23H,2-8,11H2,1H3;2*8-9,12,14-15,20,22H,2-7,10H2,1H3.

What are the key properties of 1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate?

1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 3277.78 g/mol, XLogP of 24.34, 33 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-bromo-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-cyclohexylpiperidin-4-amine;methyl 5-bromo-2-[4-(cyclohexylamino)-3-methylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate;methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;methyl 2-[4-(cyclopentylamino)-3-hydroxypiperidin-1-yl]-5-iodopyridine-3-carboxylate;propan-2-yl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 162141554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).