sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C102H153F3N19NaO28 — CID 161395244

About sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 161395244) has the molecular formula C102H153F3N19NaO28 and a molecular weight of 2173.43 g/mol. Its IUPAC name is sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 161395244
• Molecular Formula: C102H153F3N19NaO28
• Molecular Weight: 2173.43 g/mol
• Exact Mass: 2172.10
• IUPAC Name: sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: CC(C)c1nnc(C2CC[C@H](C(=O)CCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)CN2C)o1.CC(C)c1nnc(C2CC[C@H](C(=O)[O-])CN2C)o1.COC(=O)C1CCC(C(=O)NCC(=O)C(C)C)N(C(=O)OC(C)(C)C)C1.COC(=O)C1CCC(C(=O)O)N(C(=O)OC(C)(C)C)C1.COC(=O)C1CCC(C(=O)O)NC1.COC(=O)[C@H]1CCC(c2nnc(C(C)C)o2)N(C)C1.COC(=O)[C@H]1CCC(c2nnc(C(C)C)o2)NC1.[Na+]
• InChI: InChI=1S/C26H31F3N6O3.C18H30N2O6.C13H21N3O3.C13H21NO6.2C12H19N3O3.C8H13NO4.Na/c1-16(2)24-31-32-25(38-24)20-12-11-17(14-34(20)3)21(36)10-7-13-30-23(37)19-15-35(18-8-5-4-6-9-18)33-22(19)26(27,28)29;1-11(2)14(21)9-19-15(22)13-8-7-12(16(23)25-6)10-20(13)17(24)26-18(3,4)5;1-8(2)11-14-15-12(19-11)10-6-5-9(7-16(10)3)13(17)18-4;1-13(2,3)20-12(18)14-7-8(11(17)19-4)5-6-9(14)10(15)16;1-7(2)10-13-14-11(18-10)9-5-4-8(12(16)17)6-15(9)3;1-7(2)10-14-15-11(18-10)9-5-4-8(6-13-9)12(16)17-3;1-13-8(12)5-2-3-6(7(10)11)9-4-5;/h4-6,8-9,15-17,20H,7,10-14H2,1-3H3,(H,30,37);11-13H,7-10H2,1-6H3,(H,19,22);8-10H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3,(H,15,16);7-9H,4-6H2,1-3H3,(H,16,17);7-9,13H,4-6H2,1-3H3;5-6,9H,2-4H2,1H3,(H,10,11);/q;;;;;;;+1/p-1/t17-,20?;;9-,10?;;2*8-,9?;;/m0.0.00../s1
• InChIKey: VTMYZUNWZALNFU-LUJBUIRZSA-M
• XLogP: 7.43
• TPSA: 604.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 27
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2173.43
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 161395244) is sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)c1nnc(C2CC[C@H](C(=O)CCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)CN2C)o1.CC(C)c1nnc(C2CC[C@H](C(=O)[O-])CN2C)o1.COC(=O)C1CCC(C(=O)NCC(=O)C(C)C)N(C(=O)OC(C)(C)C)C1.COC(=O)C1CCC(C(=O)O)N(C(=O)OC(C)(C)C)C1.COC(=O)C1CCC(C(=O)O)NC1.COC(=O)[C@H]1CCC(c2nnc(C(C)C)o2)N(C)C1.COC(=O)[C@H]1CCC(c2nnc(C(C)C)o2)NC1.[Na+].

What is the InChIKey of sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is VTMYZUNWZALNFU-LUJBUIRZSA-M. The full InChI is InChI=1S/C26H31F3N6O3.C18H30N2O6.C13H21N3O3.C13H21NO6.2C12H19N3O3.C8H13NO4.Na/c1-16(2)24-31-32-25(38-24)20-12-11-17(14-34(20)3)21(36)10-7-13-30-23(37)19-15-35(18-8-5-4-6-9-18)33-22(19)26(27,28)29;1-11(2)14(21)9-19-15(22)13-8-7-12(16(23)25-6)10-20(13)17(24)26-18(3,4)5;1-8(2)11-14-15-12(19-11)10-6-5-9(7-16(10)3)13(17)18-4;1-13(2,3)20-12(18)14-7-8(11(17)19-4)5-6-9(14)10(15)16;1-7(2)10-13-14-11(18-10)9-5-4-8(12(16)17)6-15(9)3;1-7(2)10-14-15-11(18-10)9-5-4-8(6-13-9)12(16)17-3;1-13-8(12)5-2-3-6(7(10)11)9-4-5;/h4-6,8-9,15-17,20H,7,10-14H2,1-3H3,(H,30,37);11-13H,7-10H2,1-6H3,(H,19,22);8-10H,5-7H2,1-4H3;8-9H,5-7H2,1-4H3,(H,15,16);7-9H,4-6H2,1-3H3,(H,16,17);7-9,13H,4-6H2,1-3H3;5-6,9H,2-4H2,1H3,(H,10,11);/q;;;;;;;+1/p-1/t17-,20?;;9-,10?;;2*8-,9?;;/m0.0.00../s1.

What are the key properties of sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?

sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 2173.43 g/mol, XLogP of 7.43, 27 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1-O-tert-butyl 3-O-methyl 6-[(3-methyl-2-oxobutyl)carbamoyl]piperidine-1,3-dicarboxylate;5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;5-methoxycarbonylpiperidine-2-carboxylic acid;methyl (3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;methyl (3S)-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-3-carboxylate;N-[4-[(3S)-1-methyl-6-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-3-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 161395244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).