1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide

C24H24F4N4O2 — CID 166627743

About 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide

1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide (PubChem CID 166627743) has the molecular formula C24H24F4N4O2 and a molecular weight of 476.47 g/mol. Its IUPAC name is 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
• PubChem CID: 166627743
• Molecular Formula: C24H24F4N4O2
• Molecular Weight: 476.47 g/mol
• Exact Mass: 476.18
• IUPAC Name: 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
• SMILES: COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)c(F)c4)CC3)c2n1
• InChI: InChI=1S/C24H24F4N4O2/c1-34-21-5-4-19-22(31-21)20(6-10-29-19)30-23(33)16-8-12-32(13-9-16)11-7-15-2-3-17(18(25)14-15)24(26,27)28/h2-6,10,14,16H,7-9,11-13H2,1H3,(H,29,30,33)
• InChIKey: YCLGINKBBLCODJ-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.47
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?

The IUPAC name of 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide (CID 166627743) is 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide is COc1ccc2nccc(NC(=O)C3CCN(CCc4ccc(C(F)(F)F)c(F)c4)CC3)c2n1.

What is the InChIKey of 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?

The InChIKey is YCLGINKBBLCODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O2/c1-34-21-5-4-19-22(31-21)20(6-10-29-19)30-23(33)16-8-12-32(13-9-16)11-7-15-2-3-17(18(25)14-15)24(26,27)28/h2-6,10,14,16H,7-9,11-13H2,1H3,(H,29,30,33).

What are the key properties of 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide?

1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide has a molecular weight of 476.47 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 166627743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).