dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate

C45H51Cs2FN12O9 — CID 159915100

About dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate

dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate (PubChem CID 159915100) has the molecular formula C45H51Cs2FN12O9 and a molecular weight of 1188.79 g/mol. Its IUPAC name is dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate.

Molecular Properties

• Compound Name: dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate
• PubChem CID: 159915100
• Molecular Formula: C45H51Cs2FN12O9
• Molecular Weight: 1188.79 g/mol
• Exact Mass: 1188.20
• IUPAC Name: dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate
• SMILES: COC(=O)c1cccnc1F.COC(=O)c1cccnc1N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1.C[C@@H]1CC[C@@H](N)CN1C(=O)c1ccccc1-n1nccn1.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C22H24N6O3.C15H19N5O.C7H6FNO2.CH2O3.2Cs.H/c1-15-9-10-16(26-20-18(22(30)31-2)7-5-11-23-20)14-27(15)21(29)17-6-3-4-8-19(17)28-24-12-13-25-28;1-11-6-7-12(16)10-19(11)15(21)13-4-2-3-5-14(13)20-17-8-9-18-20;1-11-7(10)5-3-2-4-9-6(5)8;2-1-4-3;;;/h3-8,11-13,15-16H,9-10,14H2,1-2H3,(H,23,26);2-5,8-9,11-12H,6-7,10,16H2,1H3;2-4H,1H3;1,3H;;;/q;;;;2*+1;-1/p-1/t15-,16-;11-,12-;;;;;/m11...../s1
• InChIKey: YQBLZMVCHPQWGI-OYXVXBIGSA-M
• XLogP: -2.66
• TPSA: 267.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1188.79
LogP ≤ 5	-2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate?

The IUPAC name of dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate (CID 159915100) is dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate.

What is the SMILES notation for dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate?

The canonical SMILES for dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate is COC(=O)c1cccnc1F.COC(=O)c1cccnc1N[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1.C[C@@H]1CC[C@@H](N)CN1C(=O)c1ccccc1-n1nccn1.O=CO[O-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate?

The InChIKey is YQBLZMVCHPQWGI-OYXVXBIGSA-M. The full InChI is InChI=1S/C22H24N6O3.C15H19N5O.C7H6FNO2.CH2O3.2Cs.H/c1-15-9-10-16(26-20-18(22(30)31-2)7-5-11-23-20)14-27(15)21(29)17-6-3-4-8-19(17)28-24-12-13-25-28;1-11-6-7-12(16)10-19(11)15(21)13-4-2-3-5-14(13)20-17-8-9-18-20;1-11-7(10)5-3-2-4-9-6(5)8;2-1-4-3;;;/h3-8,11-13,15-16H,9-10,14H2,1-2H3,(H,23,26);2-5,8-9,11-12H,6-7,10,16H2,1H3;2-4H,1H3;1,3H;;;/q;;;;2*+1;-1/p-1/t15-,16-;11-,12-;;;;;/m11...../s1.

What are the key properties of dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate?

dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate has a molecular weight of 1188.79 g/mol, XLogP of -2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;[(2R,5R)-5-amino-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;hydride;methyl 2-fluoropyridine-3-carboxylate;methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate;oxido formate is sourced from PubChem (CID 159915100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).