5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride

C34H41ClN2O3 — CID 139786241

About 5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride

5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride (PubChem CID 139786241) has the molecular formula C34H41ClN2O3 and a molecular weight of 561.17 g/mol. Its IUPAC name is 5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride.

Molecular Properties

• Compound Name: 5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride
• PubChem CID: 139786241
• Molecular Formula: C34H41ClN2O3
• Molecular Weight: 561.17 g/mol
• Exact Mass: 560.28
• IUPAC Name: 5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride
• SMILES: CC(=O)OCCCCCN1C(=O)C(CCN2CCC(c3ccccc3)CC2)(c2ccccc2)c2ccccc21.Cl
• InChI: InChI=1S/C34H40N2O3.ClH/c1-27(37)39-26-12-4-11-22-36-32-18-10-9-17-31(32)34(33(36)38,30-15-7-3-8-16-30)21-25-35-23-19-29(20-24-35)28-13-5-2-6-14-28;/h2-3,5-10,13-18,29H,4,11-12,19-26H2,1H3;1H
• InChIKey: IZHOAABGJZKDEI-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 49.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.17
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride?

The IUPAC name of 5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride (CID 139786241) is 5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride.

What is the SMILES notation for 5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride?

The canonical SMILES for 5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride is CC(=O)OCCCCCN1C(=O)C(CCN2CCC(c3ccccc3)CC2)(c2ccccc2)c2ccccc21.Cl.

What is the InChIKey of 5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride?

The InChIKey is IZHOAABGJZKDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2O3.ClH/c1-27(37)39-26-12-4-11-22-36-32-18-10-9-17-31(32)34(33(36)38,30-15-7-3-8-16-30)21-25-35-23-19-29(20-24-35)28-13-5-2-6-14-28;/h2-3,5-10,13-18,29H,4,11-12,19-26H2,1H3;1H.

What are the key properties of 5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride?

5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride has a molecular weight of 561.17 g/mol, XLogP of 6.74, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-oxo-3-phenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]indol-1-yl]pentyl acetate;hydrochloride is sourced from PubChem (CID 139786241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).