N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide

C33H38FN3O — CID 22049002

About N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide

N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 22049002) has the molecular formula C33H38FN3O and a molecular weight of 511.69 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
• PubChem CID: 22049002
• Molecular Formula: C33H38FN3O
• Molecular Weight: 511.69 g/mol
• Exact Mass: 511.30
• IUPAC Name: N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
• SMILES: Cc1cccc2c(CCCN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c(-c3ccc(F)cc3)[nH]c12
• InChI: InChI=1S/C33H38FN3O/c1-22(2)33(38)35-28-9-5-8-26(21-28)24-16-19-37(20-17-24)18-6-11-30-29-10-4-7-23(3)31(29)36-32(30)25-12-14-27(34)15-13-25/h4-5,7-10,12-15,21-22,24,36H,6,11,16-20H2,1-3H3,(H,35,38)
• InChIKey: JBOCRORXKLVKPV-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 48.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.69
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

The IUPAC name of N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 22049002) is N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

What is the SMILES notation for N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

The canonical SMILES for N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is Cc1cccc2c(CCCN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c(-c3ccc(F)cc3)[nH]c12.

What is the InChIKey of N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

The InChIKey is JBOCRORXKLVKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38FN3O/c1-22(2)33(38)35-28-9-5-8-26(21-28)24-16-19-37(20-17-24)18-6-11-30-29-10-4-7-23(3)31(29)36-32(30)25-12-14-27(34)15-13-25/h4-5,7-10,12-15,21-22,24,36H,6,11,16-20H2,1-3H3,(H,35,38).

What are the key properties of N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 511.69 g/mol, XLogP of 7.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 22049002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).