methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate

C116H164Br5ClN18O22 — CID 158371668

About methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate

methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate (PubChem CID 158371668) has the molecular formula C116H164Br5ClN18O22 and a molecular weight of 2597.66 g/mol. Its IUPAC name is methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
• PubChem CID: 158371668
• Molecular Formula: C116H164Br5ClN18O22
• Molecular Weight: 2597.66 g/mol
• Exact Mass: 2590.79
• IUPAC Name: methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
• SMILES: COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC2)C(C(=O)OC)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(C(=O)OC)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(C(=O)OC)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCCC2)C(C(=O)OC)C1.COC(=O)c1cc(Cl)cnc1N1CC[C@H](NC2CCCCC2)[C@@H](O)C1
• InChI: InChI=1S/C21H30BrN3O4.2C20H28BrN3O4.C19H26BrN3O4.C18H26BrN3O3.C18H26ClN3O3/c1-28-20(26)16-11-14(22)12-23-19(16)25-10-9-18(17(13-25)21(27)29-2)24-15-7-5-3-4-6-8-15;2*1-27-19(25)15-10-13(21)11-22-18(15)24-9-8-17(16(12-24)20(26)28-2)23-14-6-4-3-5-7-14;1-26-18(24)14-9-12(20)10-21-17(14)23-8-7-16(15(11-23)19(25)27-2)22-13-5-3-4-6-13;2*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/h11-12,15,17-18,24H,3-10,13H2,1-2H3;2*10-11,14,16-17,23H,3-9,12H2,1-2H3;9-10,13,15-16,22H,3-8,11H2,1-2H3;2*9-10,13,15-16,21,23H,2-8,11H2,1H3/t;;;;;15-,16-/m.....0/s1
• InChIKey: GURLQJQQCWNMMD-MSGOTYIUSA-N
• XLogP: 16.56
• TPSA: 472.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 28
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2597.66
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?

The IUPAC name of methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate (CID 158371668) is methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate.

What is the SMILES notation for methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?

The canonical SMILES for methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate is COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCC2)C(C(=O)OC)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(C(=O)OC)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(C(=O)OC)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCC2)C(O)C1.COC(=O)c1cc(Br)cnc1N1CCC(NC2CCCCCC2)C(C(=O)OC)C1.COC(=O)c1cc(Cl)cnc1N1CC[C@H](NC2CCCCC2)[C@@H](O)C1.

What is the InChIKey of methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?

The InChIKey is GURLQJQQCWNMMD-MSGOTYIUSA-N. The full InChI is InChI=1S/C21H30BrN3O4.2C20H28BrN3O4.C19H26BrN3O4.C18H26BrN3O3.C18H26ClN3O3/c1-28-20(26)16-11-14(22)12-23-19(16)25-10-9-18(17(13-25)21(27)29-2)24-15-7-5-3-4-6-8-15;2*1-27-19(25)15-10-13(21)11-22-18(15)24-9-8-17(16(12-24)20(26)28-2)23-14-6-4-3-5-7-14;1-26-18(24)14-9-12(20)10-21-17(14)23-8-7-16(15(11-23)19(25)27-2)22-13-5-3-4-6-13;2*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/h11-12,15,17-18,24H,3-10,13H2,1-2H3;2*10-11,14,16-17,23H,3-9,12H2,1-2H3;9-10,13,15-16,22H,3-8,11H2,1-2H3;2*9-10,13,15-16,21,23H,2-8,11H2,1H3/t;;;;;15-,16-/m.....0/s1.

What are the key properties of methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate?

methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 2597.66 g/mol, XLogP of 16.56, 28 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-bromo-2-[4-(cycloheptylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-bromo-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate;bis(methyl 5-bromo-2-[4-(cyclohexylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate);methyl 5-bromo-2-[4-(cyclopentylamino)-3-methoxycarbonylpiperidin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-2-[(3S,4S)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 158371668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).