3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide

C31H33F5N4O2 — CID 59049896

About 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide

3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide (PubChem CID 59049896) has the molecular formula C31H33F5N4O2 and a molecular weight of 588.62 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide
• PubChem CID: 59049896
• Molecular Formula: C31H33F5N4O2
• Molecular Weight: 588.62 g/mol
• Exact Mass: 588.25
• IUPAC Name: 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide
• SMILES: Cc1noc(C2CC2C2(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)CCC(N3CCC(c4ccc(F)cc4)CC3)C2)n1
• InChI: InChI=1S/C31H33F5N4O2/c1-18-38-28(42-39-18)26-15-27(26)30(29(41)37-17-19-12-22(31(34,35)36)14-24(33)13-19)9-6-25(16-30)40-10-7-21(8-11-40)20-2-4-23(32)5-3-20/h2-5,12-14,21,25-27H,6-11,15-17H2,1H3,(H,37,41)
• InChIKey: SLIRJWOLFCGTAP-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.62
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide?

The IUPAC name of 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide (CID 59049896) is 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide.

What is the SMILES notation for 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide?

The canonical SMILES for 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide is Cc1noc(C2CC2C2(C(=O)NCc3cc(F)cc(C(F)(F)F)c3)CCC(N3CCC(c4ccc(F)cc4)CC3)C2)n1.

What is the InChIKey of 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide?

The InChIKey is SLIRJWOLFCGTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F5N4O2/c1-18-38-28(42-39-18)26-15-27(26)30(29(41)37-17-19-12-22(31(34,35)36)14-24(33)13-19)9-6-25(16-30)40-10-7-21(8-11-40)20-2-4-23(32)5-3-20/h2-5,12-14,21,25-27H,6-11,15-17H2,1H3,(H,37,41).

What are the key properties of 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide?

3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide has a molecular weight of 588.62 g/mol, XLogP of 6.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 59049896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).