2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride

C26H29Cl2F3N4O2 — CID 66744256

About 2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride

2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride (PubChem CID 66744256) has the molecular formula C26H29Cl2F3N4O2 and a molecular weight of 557.44 g/mol. Its IUPAC name is 2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
• PubChem CID: 66744256
• Molecular Formula: C26H29Cl2F3N4O2
• Molecular Weight: 557.44 g/mol
• Exact Mass: 556.16
• IUPAC Name: 2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
• SMILES: CNCCNC(=O)Cn1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2ccc(Cl)cc21.Cl
• InChI: InChI=1S/C26H28ClF3N4O2.ClH/c1-31-10-11-32-24(35)16-34-15-21(20-7-6-18(27)14-23(20)34)25(36)33-12-8-17(9-13-33)19-4-2-3-5-22(19)26(28,29)30;/h2-7,14-15,17,31H,8-13,16H2,1H3,(H,32,35);1H
• InChIKey: HTZCFLVKJUOXAX-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 66.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.44
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
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 2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride?

The IUPAC name of 2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride (CID 66744256) is 2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride.

What is the SMILES notation for 2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride?

The canonical SMILES for 2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride is CNCCNC(=O)Cn1cc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2ccc(Cl)cc21.Cl.

What is the InChIKey of 2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride?

The InChIKey is HTZCFLVKJUOXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF3N4O2.ClH/c1-31-10-11-32-24(35)16-34-15-21(20-7-6-18(27)14-23(20)34)25(36)33-12-8-17(9-13-33)19-4-2-3-5-22(19)26(28,29)30;/h2-7,14-15,17,31H,8-13,16H2,1H3,(H,32,35);1H.

What are the key properties of 2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride?

2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride has a molecular weight of 557.44 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]indol-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 66744256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).