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

C32H36ClN3O — CID 22049463

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

N-[3-[1-[3-[2-(4-chlorophenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 22049463) has the molecular formula C32H36ClN3O and a molecular weight of 514.11 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(4-chlorophenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[1-[3-[2-(4-chlorophenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
• PubChem CID: 22049463
• Molecular Formula: C32H36ClN3O
• Molecular Weight: 514.11 g/mol
• Exact Mass: 513.25
• IUPAC Name: N-[3-[1-[3-[2-(4-chlorophenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1cccc(C2CCN(CCCc3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)CC2)c1
• InChI: InChI=1S/C32H36ClN3O/c1-22(2)32(37)34-27-8-5-7-25(21-27)23-16-19-36(20-17-23)18-6-10-29-28-9-3-4-11-30(28)35-31(29)24-12-14-26(33)15-13-24/h3-5,7-9,11-15,21-23,35H,6,10,16-20H2,1-2H3,(H,34,37)
• InChIKey: ONCYYFXZSJWRJZ-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 48.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.11
LogP ≤ 5	7.89
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-chlorophenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

The IUPAC name of N-[3-[1-[3-[2-(4-chlorophenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 22049463) is N-[3-[1-[3-[2-(4-chlorophenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

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

The canonical SMILES for N-[3-[1-[3-[2-(4-chlorophenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(CCCc3c(-c4ccc(Cl)cc4)[nH]c4ccccc34)CC2)c1.

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

The InChIKey is ONCYYFXZSJWRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN3O/c1-22(2)32(37)34-27-8-5-7-25(21-27)23-16-19-36(20-17-23)18-6-10-29-28-9-3-4-11-30(28)35-31(29)24-12-14-26(33)15-13-24/h3-5,7-9,11-15,21-23,35H,6,10,16-20H2,1-2H3,(H,34,37).

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

N-[3-[1-[3-[2-(4-chlorophenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 514.11 g/mol, XLogP of 7.89, 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-chlorophenyl)-1H-indol-3-yl]propyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 22049463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).