dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide

C68H65BrF8Li2N18O8 — CID 157481358

About dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide

dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide (PubChem CID 157481358) has the molecular formula C68H65BrF8Li2N18O8 and a molecular weight of 1508.16 g/mol. Its IUPAC name is dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide.

Molecular Properties

• Compound Name: dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide
• PubChem CID: 157481358
• Molecular Formula: C68H65BrF8Li2N18O8
• Molecular Weight: 1508.16 g/mol
• Exact Mass: 1506.46
• IUPAC Name: dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide
• SMILES: CN1CCC(NC(=O)C2CN(c3ccc(C#N)c4nccnc34)CC(F)(F)C2)CC1.COC(=O)C1CN(c2ccc(C#N)c3nccnc23)CC(F)(F)C1.COC(=O)C1CNCC(F)(F)C1.N#Cc1ccc(Br)c2nccnc12.N#Cc1ccc(N2CC(C(=O)[O-])CC(F)(F)C2)c2nccnc12.[Li+].[Li+].[OH-]
• InChI: InChI=1S/C21H24F2N6O.C16H14F2N4O2.C15H12F2N4O2.C9H4BrN3.C7H11F2NO2.2Li.H2O/c1-28-8-4-16(5-9-28)27-20(30)15-10-21(22,23)13-29(12-15)17-3-2-14(11-24)18-19(17)26-7-6-25-18;1-24-15(23)11-6-16(17,18)9-22(8-11)12-3-2-10(7-19)13-14(12)21-5-4-20-13;16-15(17)5-10(14(22)23)7-21(8-15)11-2-1-9(6-18)12-13(11)20-4-3-19-12;10-7-2-1-6(5-11)8-9(7)13-4-3-12-8;1-12-6(11)5-2-7(8,9)4-10-3-5;;;/h2-3,6-7,15-16H,4-5,8-10,12-13H2,1H3,(H,27,30);2-5,11H,6,8-9H2,1H3;1-4,10H,5,7-8H2,(H,22,23);1-4H;5,10H,2-4H2,1H3;;;1H2/q;;;;;2*+1;/p-2
• InChIKey: WAIBBDLHSRTEFA-UHFFFAOYSA-L
• XLogP: 1.52
• TPSA: 375.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 8
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1508.16
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide?

The IUPAC name of dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide (CID 157481358) is dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide.

What is the SMILES notation for dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide?

The canonical SMILES for dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide is CN1CCC(NC(=O)C2CN(c3ccc(C#N)c4nccnc34)CC(F)(F)C2)CC1.COC(=O)C1CN(c2ccc(C#N)c3nccnc23)CC(F)(F)C1.COC(=O)C1CNCC(F)(F)C1.N#Cc1ccc(Br)c2nccnc12.N#Cc1ccc(N2CC(C(=O)[O-])CC(F)(F)C2)c2nccnc12.[Li+].[Li+].[OH-].

What is the InChIKey of dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide?

The InChIKey is WAIBBDLHSRTEFA-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H24F2N6O.C16H14F2N4O2.C15H12F2N4O2.C9H4BrN3.C7H11F2NO2.2Li.H2O/c1-28-8-4-16(5-9-28)27-20(30)15-10-21(22,23)13-29(12-15)17-3-2-14(11-24)18-19(17)26-7-6-25-18;1-24-15(23)11-6-16(17,18)9-22(8-11)12-3-2-10(7-19)13-14(12)21-5-4-20-13;16-15(17)5-10(14(22)23)7-21(8-15)11-2-1-9(6-18)12-13(11)20-4-3-19-12;10-7-2-1-6(5-11)8-9(7)13-4-3-12-8;1-12-6(11)5-2-7(8,9)4-10-3-5;;;/h2-3,6-7,15-16H,4-5,8-10,12-13H2,1H3,(H,27,30);2-5,11H,6,8-9H2,1H3;1-4,10H,5,7-8H2,(H,22,23);1-4H;5,10H,2-4H2,1H3;;;1H2/q;;;;;2*+1;/p-2.

What are the key properties of dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide?

dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide has a molecular weight of 1508.16 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for dilithium;8-bromoquinoxaline-5-carbonitrile;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoro-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide;1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 1-(8-cyanoquinoxalin-5-yl)-5,5-difluoropiperidine-3-carboxylate;methyl 5,5-difluoropiperidine-3-carboxylate;hydroxide is sourced from PubChem (CID 157481358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).