N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide

C53H61F6N7O5 — CID 161417906

About N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide

N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide (PubChem CID 161417906) has the molecular formula C53H61F6N7O5 and a molecular weight of 990.10 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide
• PubChem CID: 161417906
• Molecular Formula: C53H61F6N7O5
• Molecular Weight: 990.10 g/mol
• Exact Mass: 989.46
• IUPAC Name: N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide
• SMILES: CC(C)(C)c1ccc(N(Cc2ccc(-c3nnc(C(F)(F)F)o3)cc2)C(=O)N2CCCCC2)cc1.CC(C)(C)c1ccc(N(Cc2ccc(C(=O)CNC(=O)C(F)(F)F)cc2)C(=O)N2CCCCC2)cc1
• InChI: InChI=1S/C27H32F3N3O3.C26H29F3N4O2/c1-26(2,3)21-11-13-22(14-12-21)33(25(36)32-15-5-4-6-16-32)18-19-7-9-20(10-8-19)23(34)17-31-24(35)27(28,29)30;1-25(2,3)20-11-13-21(14-12-20)33(24(34)32-15-5-4-6-16-32)17-18-7-9-19(10-8-18)22-30-31-23(35-22)26(27,28)29/h7-14H,4-6,15-18H2,1-3H3,(H,31,35);7-14H,4-6,15-17H2,1-3H3
• InChIKey: VWIFRKSIPLSBOS-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 132.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	990.10
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide?

The IUPAC name of N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide (CID 161417906) is N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide.

What is the SMILES notation for N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide?

The canonical SMILES for N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide is CC(C)(C)c1ccc(N(Cc2ccc(-c3nnc(C(F)(F)F)o3)cc2)C(=O)N2CCCCC2)cc1.CC(C)(C)c1ccc(N(Cc2ccc(C(=O)CNC(=O)C(F)(F)F)cc2)C(=O)N2CCCCC2)cc1.

What is the InChIKey of N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide?

The InChIKey is VWIFRKSIPLSBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N3O3.C26H29F3N4O2/c1-26(2,3)21-11-13-22(14-12-21)33(25(36)32-15-5-4-6-16-32)18-19-7-9-20(10-8-19)23(34)17-31-24(35)27(28,29)30;1-25(2,3)20-11-13-21(14-12-20)33(24(34)32-15-5-4-6-16-32)17-18-7-9-19(10-8-18)22-30-31-23(35-22)26(27,28)29/h7-14H,4-6,15-18H2,1-3H3,(H,31,35);7-14H,4-6,15-17H2,1-3H3.

What are the key properties of N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide?

N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 990.10 g/mol, XLogP of 12.12, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-N-[[4-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]phenyl]methyl]piperidine-1-carboxamide;N-(4-tert-butylphenyl)-N-[[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 161417906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).