sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide

C126H170F5N38NaO19 — CID 160947869

About sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide

sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide (PubChem CID 160947869) has the molecular formula C126H170F5N38NaO19 and a molecular weight of 2638.97 g/mol. Its IUPAC name is sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide.

Molecular Properties

• Compound Name: sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide
• PubChem CID: 160947869
• Molecular Formula: C126H170F5N38NaO19
• Molecular Weight: 2638.97 g/mol
• Exact Mass: 2637.33
• IUPAC Name: sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide
• SMILES: CNC(=O)[C@H]1C[C@@H](NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CCN1.CNC(=O)[C@H]1C[C@@H](NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CCN1C.CNC(=O)[C@H]1C[C@@H](NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CCN1C(=O)OC(C)(C)C.COC(=O)[C@H]1C[C@@H](N)CCN1C(=O)OC(C)(C)C.COC(=O)[C@H]1C[C@@H](NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CCN1C(=O)OC(C)(C)C.O=C([O-])CN1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1.[Na+]
• InChI: InChI=1S/C27H37FN8O4.C27H36FN7O5.C23H31FN8O2.C22H29FN8O2.C15H16FN5O2.C12H22N2O4.Na/c1-27(2,3)40-26(39)36-10-9-20(15-22(36)24(38)29-4)31-23(37)17-34-11-13-35(14-12-34)25-32-21(16-30-33-25)18-5-7-19(28)8-6-18;1-27(2,3)40-26(38)35-10-9-20(15-22(35)24(37)39-4)30-23(36)17-33-11-13-34(14-12-33)25-31-21(16-29-32-25)18-5-7-19(28)8-6-18;1-25-22(34)20-13-18(7-8-30(20)2)27-21(33)15-31-9-11-32(12-10-31)23-28-19(14-26-29-23)16-3-5-17(24)6-4-16;1-24-21(33)18-12-17(6-7-25-18)27-20(32)14-30-8-10-31(11-9-30)22-28-19(13-26-29-22)15-2-4-16(23)5-3-15;16-12-3-1-11(2-4-12)13-9-17-19-15(18-13)21-7-5-20(6-8-21)10-14(22)23;1-12(2,3)18-11(16)14-6-5-8(13)7-9(14)10(15)17-4;/h5-8,16,20,22H,9-15,17H2,1-4H3,(H,29,38)(H,31,37);5-8,16,20,22H,9-15,17H2,1-4H3,(H,30,36);3-6,14,18,20H,7-13,15H2,1-2H3,(H,25,34)(H,27,33);2-5,13,17-18,25H,6-12,14H2,1H3,(H,24,33)(H,27,32);1-4,9H,5-8,10H2,(H,22,23);8-9H,5-7,13H2,1-4H3;/q;;;;;;+1/p-1/t2*20-,22+;18-,20+;17-,18+;;8-,9+;/m0000.0./s1
• InChIKey: SVIWWORVGIOQPG-NEYNTOJDSA-M
• XLogP: 0.63
• TPSA: 652.09 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 47
• Rotatable Bonds: 29
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2638.97
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide?

The IUPAC name of sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide (CID 160947869) is sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide.

What is the SMILES notation for sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide?

The canonical SMILES for sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide is CNC(=O)[C@H]1C[C@@H](NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CCN1.CNC(=O)[C@H]1C[C@@H](NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CCN1C.CNC(=O)[C@H]1C[C@@H](NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CCN1C(=O)OC(C)(C)C.COC(=O)[C@H]1C[C@@H](N)CCN1C(=O)OC(C)(C)C.COC(=O)[C@H]1C[C@@H](NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CCN1C(=O)OC(C)(C)C.O=C([O-])CN1CCN(c2nncc(-c3ccc(F)cc3)n2)CC1.[Na+].

What is the InChIKey of sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide?

The InChIKey is SVIWWORVGIOQPG-NEYNTOJDSA-M. The full InChI is InChI=1S/C27H37FN8O4.C27H36FN7O5.C23H31FN8O2.C22H29FN8O2.C15H16FN5O2.C12H22N2O4.Na/c1-27(2,3)40-26(39)36-10-9-20(15-22(36)24(38)29-4)31-23(37)17-34-11-13-35(14-12-34)25-32-21(16-30-33-25)18-5-7-19(28)8-6-18;1-27(2,3)40-26(38)35-10-9-20(15-22(35)24(37)39-4)30-23(36)17-33-11-13-34(14-12-33)25-31-21(16-29-32-25)18-5-7-19(28)8-6-18;1-25-22(34)20-13-18(7-8-30(20)2)27-21(33)15-31-9-11-32(12-10-31)23-28-19(14-26-29-23)16-3-5-17(24)6-4-16;1-24-21(33)18-12-17(6-7-25-18)27-20(32)14-30-8-10-31(11-9-30)22-28-19(13-26-29-22)15-2-4-16(23)5-3-15;16-12-3-1-11(2-4-12)13-9-17-19-15(18-13)21-7-5-20(6-8-21)10-14(22)23;1-12(2,3)18-11(16)14-6-5-8(13)7-9(14)10(15)17-4;/h5-8,16,20,22H,9-15,17H2,1-4H3,(H,29,38)(H,31,37);5-8,16,20,22H,9-15,17H2,1-4H3,(H,30,36);3-6,14,18,20H,7-13,15H2,1-2H3,(H,25,34)(H,27,33);2-5,13,17-18,25H,6-12,14H2,1H3,(H,24,33)(H,27,32);1-4,9H,5-8,10H2,(H,22,23);8-9H,5-7,13H2,1-4H3;/q;;;;;;+1/p-1/t2*20-,22+;18-,20+;17-,18+;;8-,9+;/m0000.0./s1.

What are the key properties of sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide?

sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide has a molecular weight of 2638.97 g/mol, XLogP of 0.63, 29 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-2-(methylcarbamoyl)piperidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-aminopiperidine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidine-1,2-dicarboxylate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetate;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N,1-dimethylpiperidine-2-carboxamide;(2R,4S)-4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 160947869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).