N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide

C31H36FN3O — CID 71218632

About N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide

N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 71218632) has the molecular formula C31H36FN3O and a molecular weight of 485.65 g/mol. Its IUPAC name is N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
• PubChem CID: 71218632
• Molecular Formula: C31H36FN3O
• Molecular Weight: 485.65 g/mol
• Exact Mass: 485.28
• IUPAC Name: N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1cccc(C2CCN(CC3(C)CNc4cc(-c5ccccc5F)ccc43)CC2)c1
• InChI: InChI=1S/C31H36FN3O/c1-21(2)30(36)34-25-8-6-7-23(17-25)22-13-15-35(16-14-22)20-31(3)19-33-29-18-24(11-12-27(29)31)26-9-4-5-10-28(26)32/h4-12,17-18,21-22,33H,13-16,19-20H2,1-3H3,(H,34,36)
• InChIKey: HFMMJORHFWIEDN-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.65
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

The IUPAC name of N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 71218632) is N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

What is the SMILES notation for N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

The canonical SMILES for N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(CC3(C)CNc4cc(-c5ccccc5F)ccc43)CC2)c1.

What is the InChIKey of N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

The InChIKey is HFMMJORHFWIEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN3O/c1-21(2)30(36)34-25-8-6-7-23(17-25)22-13-15-35(16-14-22)20-31(3)19-33-29-18-24(11-12-27(29)31)26-9-4-5-10-28(26)32/h4-12,17-18,21-22,33H,13-16,19-20H2,1-3H3,(H,34,36).

What are the key properties of N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 485.65 g/mol, XLogP of 6.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[[6-(2-fluorophenyl)-3-methyl-1,2-dihydroindol-3-yl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 71218632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).