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

C33H38ClN3O — CID 22048673

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

N-[3-[1-[3-[2-(2-chlorophenyl)-5-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 22048673) has the molecular formula C33H38ClN3O and a molecular weight of 528.14 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(2-chlorophenyl)-5-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[1-[3-[2-(2-chlorophenyl)-5-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
• PubChem CID: 22048673
• Molecular Formula: C33H38ClN3O
• Molecular Weight: 528.14 g/mol
• Exact Mass: 527.27
• IUPAC Name: N-[3-[1-[3-[2-(2-chlorophenyl)-5-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
• SMILES: Cc1ccc2[nH]c(-c3ccccc3Cl)c(CCCN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c2c1
• InChI: InChI=1S/C33H38ClN3O/c1-22(2)33(38)35-26-9-6-8-25(21-26)24-15-18-37(19-16-24)17-7-11-27-29-20-23(3)13-14-31(29)36-32(27)28-10-4-5-12-30(28)34/h4-6,8-10,12-14,20-22,24,36H,7,11,15-19H2,1-3H3,(H,35,38)
• InChIKey: AZTRKNDKMMYOAX-UHFFFAOYSA-N
• XLogP: 8.20
• 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	528.14
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[3-[1-[3-[2-(2-chlorophenyl)-5-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 22048673) is N-[3-[1-[3-[2-(2-chlorophenyl)-5-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

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

The canonical SMILES for N-[3-[1-[3-[2-(2-chlorophenyl)-5-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is Cc1ccc2[nH]c(-c3ccccc3Cl)c(CCCN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c2c1.

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

The InChIKey is AZTRKNDKMMYOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38ClN3O/c1-22(2)33(38)35-26-9-6-8-25(21-26)24-15-18-37(19-16-24)17-7-11-27-29-20-23(3)13-14-31(29)36-32(27)28-10-4-5-12-30(28)34/h4-6,8-10,12-14,20-22,24,36H,7,11,15-19H2,1-3H3,(H,35,38).

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

N-[3-[1-[3-[2-(2-chlorophenyl)-5-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 528.14 g/mol, XLogP of 8.20, 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-(2-chlorophenyl)-5-methyl-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 22048673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).