N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide

C25H27F7N2O2 — CID 87305620

About N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide

N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide (PubChem CID 87305620) has the molecular formula C25H27F7N2O2 and a molecular weight of 520.49 g/mol. Its IUPAC name is N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide
• PubChem CID: 87305620
• Molecular Formula: C25H27F7N2O2
• Molecular Weight: 520.49 g/mol
• Exact Mass: 520.20
• IUPAC Name: N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide
• SMILES: CN(CC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)C(=O)C1CCNCC1
• InChI: InChI=1S/C25H27F7N2O2/c1-34(23(35)18-6-8-33-9-7-18)13-19(17-2-4-22(26)5-3-17)15-36-14-16-10-20(24(27,28)29)12-21(11-16)25(30,31)32/h2-5,10-12,18-19,33H,6-9,13-15H2,1H3
• InChIKey: AMWZUZWPKGHWJS-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.49
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide?

The IUPAC name of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide (CID 87305620) is N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide.

What is the SMILES notation for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide?

The canonical SMILES for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide is CN(CC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(F)cc1)C(=O)C1CCNCC1.

What is the InChIKey of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide?

The InChIKey is AMWZUZWPKGHWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F7N2O2/c1-34(23(35)18-6-8-33-9-7-18)13-19(17-2-4-22(26)5-3-17)15-36-14-16-10-20(24(27,28)29)12-21(11-16)25(30,31)32/h2-5,10-12,18-19,33H,6-9,13-15H2,1H3.

What are the key properties of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide?

N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 520.49 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-(4-fluorophenyl)propyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 87305620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).