[3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C26H30F3N3O — CID 130413518

About [3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 130413518) has the molecular formula C26H30F3N3O and a molecular weight of 457.54 g/mol. Its IUPAC name is [3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
• PubChem CID: 130413518
• Molecular Formula: C26H30F3N3O
• Molecular Weight: 457.54 g/mol
• Exact Mass: 457.23
• IUPAC Name: [3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
• SMILES: O=C(C1CCC(N2CCC(c3ccccc3)CC2)C1)N1CCc2ncc(C(F)(F)F)cc2C1
• InChI: InChI=1S/C26H30F3N3O/c27-26(28,29)22-14-21-17-32(13-10-24(21)30-16-22)25(33)20-6-7-23(15-20)31-11-8-19(9-12-31)18-4-2-1-3-5-18/h1-5,14,16,19-20,23H,6-13,15,17H2
• InChIKey: DWPWTVNJMNCGDH-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.54
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The IUPAC name of [3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 130413518) is [3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

What is the SMILES notation for [3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The canonical SMILES for [3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is O=C(C1CCC(N2CCC(c3ccccc3)CC2)C1)N1CCc2ncc(C(F)(F)F)cc2C1.

What is the InChIKey of [3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The InChIKey is DWPWTVNJMNCGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O/c27-26(28,29)22-14-21-17-32(13-10-24(21)30-16-22)25(33)20-6-7-23(15-20)31-11-8-19(9-12-31)18-4-2-1-3-5-18/h1-5,14,16,19-20,23H,6-13,15,17H2.

What are the key properties of [3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

[3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 457.54 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-phenylpiperidin-1-yl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 130413518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).