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

C32H38ClN3O — CID 142203527

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

N-[3-[1-[3-[2-(2-chlorophenyl)-2,3-dihydro-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 142203527) has the molecular formula C32H38ClN3O and a molecular weight of 516.13 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(2-chlorophenyl)-2,3-dihydro-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[1-[3-[2-(2-chlorophenyl)-2,3-dihydro-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
• PubChem CID: 142203527
• Molecular Formula: C32H38ClN3O
• Molecular Weight: 516.13 g/mol
• Exact Mass: 515.27
• IUPAC Name: N-[3-[1-[3-[2-(2-chlorophenyl)-2,3-dihydro-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1cccc(C2CCN(CCCC3c4ccccc4NC3c3ccccc3Cl)CC2)c1
• InChI: InChI=1S/C32H38ClN3O/c1-22(2)32(37)34-25-10-7-9-24(21-25)23-16-19-36(20-17-23)18-8-13-27-26-11-4-6-15-30(26)35-31(27)28-12-3-5-14-29(28)33/h3-7,9-12,14-15,21-23,27,31,35H,8,13,16-20H2,1-2H3,(H,34,37)
• InChIKey: GQAPBRMSBVUIPL-UHFFFAOYSA-N
• XLogP: 7.84
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.13
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[3-[1-[3-[2-(2-chlorophenyl)-2,3-dihydro-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 142203527) is N-[3-[1-[3-[2-(2-chlorophenyl)-2,3-dihydro-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

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

The canonical SMILES for N-[3-[1-[3-[2-(2-chlorophenyl)-2,3-dihydro-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(CCCC3c4ccccc4NC3c3ccccc3Cl)CC2)c1.

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

The InChIKey is GQAPBRMSBVUIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN3O/c1-22(2)32(37)34-25-10-7-9-24(21-25)23-16-19-36(20-17-23)18-8-13-27-26-11-4-6-15-30(26)35-31(27)28-12-3-5-14-29(28)33/h3-7,9-12,14-15,21-23,27,31,35H,8,13,16-20H2,1-2H3,(H,34,37).

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

N-[3-[1-[3-[2-(2-chlorophenyl)-2,3-dihydro-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 516.13 g/mol, XLogP of 7.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[3-[2-(2-chlorophenyl)-2,3-dihydro-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 142203527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).