4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide

C47H53F6N11O7 — CID 159724293

About 4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide

4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide (PubChem CID 159724293) has the molecular formula C47H53F6N11O7 and a molecular weight of 998.00 g/mol. Its IUPAC name is 4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide
• PubChem CID: 159724293
• Molecular Formula: C47H53F6N11O7
• Molecular Weight: 998.00 g/mol
• Exact Mass: 997.40
• IUPAC Name: 4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide
• SMILES: CCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)(F)F)o3)cn2)c2ccc(OC)cc2)CC1.CCN1CCN(C(=O)N(Cc2ccc(C(=O)CNC(=O)C(F)(F)F)cn2)c2ccc(OC)cc2)CC1
• InChI: InChI=1S/C24H28F3N5O4.C23H25F3N6O3/c1-3-30-10-12-31(13-11-30)23(35)32(19-6-8-20(36-2)9-7-19)16-18-5-4-17(14-28-18)21(33)15-29-22(34)24(25,26)27;1-3-30-10-12-31(13-11-30)22(33)32(18-6-8-19(34-2)9-7-18)15-17-5-4-16(14-27-17)20-28-29-21(35-20)23(24,25)26/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,29,34);4-9,14H,3,10-13,15H2,1-2H3
• InChIKey: NAKYZHBNBZEHOX-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 182.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	998.00
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide?

The IUPAC name of 4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide (CID 159724293) is 4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide.

What is the SMILES notation for 4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide?

The canonical SMILES for 4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide is CCN1CCN(C(=O)N(Cc2ccc(-c3nnc(C(F)(F)F)o3)cn2)c2ccc(OC)cc2)CC1.CCN1CCN(C(=O)N(Cc2ccc(C(=O)CNC(=O)C(F)(F)F)cn2)c2ccc(OC)cc2)CC1.

What is the InChIKey of 4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide?

The InChIKey is NAKYZHBNBZEHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O4.C23H25F3N6O3/c1-3-30-10-12-31(13-11-30)23(35)32(19-6-8-20(36-2)9-7-19)16-18-5-4-17(14-28-18)21(33)15-29-22(34)24(25,26)27;1-3-30-10-12-31(13-11-30)22(33)32(18-6-8-19(34-2)9-7-18)15-17-5-4-16(14-27-17)20-28-29-21(35-20)23(24,25)26/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,29,34);4-9,14H,3,10-13,15H2,1-2H3.

What are the key properties of 4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide?

4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide has a molecular weight of 998.00 g/mol, XLogP of 6.64, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-N-(4-methoxyphenyl)-N-[[5-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]-2-pyridinyl]methyl]piperazine-1-carboxamide;4-ethyl-N-(4-methoxyphenyl)-N-[[5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 159724293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).