[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone

C26H27F3N2O — CID 166687100

About [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone (PubChem CID 166687100) has the molecular formula C26H27F3N2O and a molecular weight of 440.51 g/mol. Its IUPAC name is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

• Compound Name: [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone
• PubChem CID: 166687100
• Molecular Formula: C26H27F3N2O
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.21
• IUPAC Name: [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone
• SMILES: CC1(C)CCCN(C(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)C1
• InChI: InChI=1S/C26H27F3N2O/c1-26(2)8-3-9-31(14-26)25(32)17-10-16(11-17)22-20-12-19(28)13-21(29)24(20)30-23(22)15-4-6-18(27)7-5-15/h4-7,12-13,16-17,30H,3,8-11,14H2,1-2H3
• InChIKey: IDFUJJCMLUUBCZ-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 36.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone?

The IUPAC name of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone (CID 166687100) is [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone.

What is the SMILES notation for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone?

The canonical SMILES for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone is CC1(C)CCCN(C(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)C1.

What is the InChIKey of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone?

The InChIKey is IDFUJJCMLUUBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O/c1-26(2)8-3-9-31(14-26)25(32)17-10-16(11-17)22-20-12-19(28)13-21(29)24(20)30-23(22)15-4-6-18(27)7-5-15/h4-7,12-13,16-17,30H,3,8-11,14H2,1-2H3.

What are the key properties of [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone?

[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 440.51 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-(3,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 166687100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).