2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide

C35H43N3O — CID 142203553

About 2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide

2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide (PubChem CID 142203553) has the molecular formula C35H43N3O and a molecular weight of 521.75 g/mol. Its IUPAC name is 2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide
• PubChem CID: 142203553
• Molecular Formula: C35H43N3O
• Molecular Weight: 521.75 g/mol
• Exact Mass: 521.34
• IUPAC Name: 2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide
• SMILES: Cc1ccc2[nH]c(-c3ccccc3C)c(CCCN3CCC(c4cccc(CNC(=O)C(C)C)c4)CC3)c2c1
• InChI: InChI=1S/C35H43N3O/c1-24(2)35(39)36-23-27-10-7-11-29(22-27)28-16-19-38(20-17-28)18-8-13-31-32-21-25(3)14-15-33(32)37-34(31)30-12-6-5-9-26(30)4/h5-7,9-12,14-15,21-22,24,28,37H,8,13,16-20,23H2,1-4H3,(H,36,39)
• InChIKey: UNHVQJMZTIRUQC-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 48.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.75
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide?

The IUPAC name of 2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide (CID 142203553) is 2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide.

What is the SMILES notation for 2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide?

The canonical SMILES for 2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide is Cc1ccc2[nH]c(-c3ccccc3C)c(CCCN3CCC(c4cccc(CNC(=O)C(C)C)c4)CC3)c2c1.

What is the InChIKey of 2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide?

The InChIKey is UNHVQJMZTIRUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H43N3O/c1-24(2)35(39)36-23-27-10-7-11-29(22-27)28-16-19-38(20-17-28)18-8-13-31-32-21-25(3)14-15-33(32)37-34(31)30-12-6-5-9-26(30)4/h5-7,9-12,14-15,21-22,24,28,37H,8,13,16-20,23H2,1-4H3,(H,36,39).

What are the key properties of 2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide?

2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide has a molecular weight of 521.75 g/mol, XLogP of 7.54, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[3-[1-[3-[5-methyl-2-(2-methylphenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]methyl]propanamide is sourced from PubChem (CID 142203553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).