ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

C66H85F6N15O9 — CID 159384705

About ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide

ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 159384705) has the molecular formula C66H85F6N15O9 and a molecular weight of 1346.49 g/mol. Its IUPAC name is ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 159384705
• Molecular Formula: C66H85F6N15O9
• Molecular Weight: 1346.49 g/mol
• Exact Mass: 1345.66
• IUPAC Name: ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: CC(C)c1nnc([C@H]2CC[C@@H](C(=O)CCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)N(C)C2)o1.CC(C)c1nnc([C@H]2CC[C@H](C(=O)CCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)N(C)C2)o1.CCOC(=O)[C@H]1CC[C@H](c2nnc(C(C)C)o2)CN1C
• InChI: InChI=1S/2C26H31F3N6O3.C14H23N3O3/c2*1-16(2)24-31-32-25(38-24)17-11-12-20(34(3)14-17)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;1-5-19-14(18)11-7-6-10(8-17(11)4)13-16-15-12(20-13)9(2)3/h2*4-6,8-9,15-17,20H,7,10-14H2,1-3H3,(H,30,37);9-11H,5-8H2,1-4H3/t17-,20+;17-,20-;10-,11+/m000/s1
• InChIKey: LLISIKYMLILVCB-VVGNCOQASA-N
• XLogP: 10.64
• TPSA: 280.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1346.49
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 159384705) is ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is CC(C)c1nnc([C@H]2CC[C@@H](C(=O)CCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)N(C)C2)o1.CC(C)c1nnc([C@H]2CC[C@H](C(=O)CCCNC(=O)c3cn(-c4ccccc4)nc3C(F)(F)F)N(C)C2)o1.CCOC(=O)[C@H]1CC[C@H](c2nnc(C(C)C)o2)CN1C.

What is the InChIKey of ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is LLISIKYMLILVCB-VVGNCOQASA-N. The full InChI is InChI=1S/2C26H31F3N6O3.C14H23N3O3/c2*1-16(2)24-31-32-25(38-24)17-11-12-20(34(3)14-17)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;1-5-19-14(18)11-7-6-10(8-17(11)4)13-16-15-12(20-13)9(2)3/h2*4-6,8-9,15-17,20H,7,10-14H2,1-3H3,(H,30,37);9-11H,5-8H2,1-4H3/t17-,20+;17-,20-;10-,11+/m000/s1.

What are the key properties of ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide?

ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 1346.49 g/mol, XLogP of 10.64, 22 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidine-2-carboxylate;N-[4-[(2R,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide;N-[4-[(2S,5S)-1-methyl-5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-2-yl]-4-oxobutyl]-1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 159384705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).