[5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C29H34F3N3O3 — CID 123982221

About [5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 123982221) has the molecular formula C29H34F3N3O3 and a molecular weight of 529.60 g/mol. Its IUPAC name is [5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
• PubChem CID: 123982221
• Molecular Formula: C29H34F3N3O3
• Molecular Weight: 529.60 g/mol
• Exact Mass: 529.26
• IUPAC Name: [5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
• SMILES: COc1cccc(C2CCN(C3CC4OCCC4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)c1
• InChI: InChI=1S/C29H34F3N3O3/c1-37-24-4-2-3-20(14-24)19-5-9-34(10-6-19)23-15-26-28(16-23,8-12-38-26)27(36)35-11-7-25-21(18-35)13-22(17-33-25)29(30,31)32/h2-4,13-14,17,19,23,26H,5-12,15-16,18H2,1H3
• InChIKey: YJJZSCQNEPGUIC-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 54.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.60
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The IUPAC name of [5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 123982221) is [5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

What is the SMILES notation for [5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The canonical SMILES for [5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is COc1cccc(C2CCN(C3CC4OCCC4(C(=O)N4CCc5ncc(C(F)(F)F)cc5C4)C3)CC2)c1.

What is the InChIKey of [5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

The InChIKey is YJJZSCQNEPGUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F3N3O3/c1-37-24-4-2-3-20(14-24)19-5-9-34(10-6-19)23-15-26-28(16-23,8-12-38-26)27(36)35-11-7-25-21(18-35)13-22(17-33-25)29(30,31)32/h2-4,13-14,17,19,23,26H,5-12,15-16,18H2,1H3.

What are the key properties of [5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?

[5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 529.60 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4-(3-methoxyphenyl)piperidin-1-yl]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 123982221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).