2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride

C17H26ClF3N4O2 — CID 119710712

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride (PubChem CID 119710712) has the molecular formula C17H26ClF3N4O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride
• PubChem CID: 119710712
• Molecular Formula: C17H26ClF3N4O2
• Molecular Weight: 410.87 g/mol
• Exact Mass: 410.17
• IUPAC Name: 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride
• SMILES: Cl.Cn1ccnc1C(O)(CCNC(=O)CC1CC2CCC(C1)N2)C(F)(F)F
• InChI: InChI=1S/C17H25F3N4O2.ClH/c1-24-7-6-22-15(24)16(26,17(18,19)20)4-5-21-14(25)10-11-8-12-2-3-13(9-11)23-12;/h6-7,11-13,23,26H,2-5,8-10H2,1H3,(H,21,25);1H
• InChIKey: AQOVSKCCMCOZDT-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 79.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.87
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride?

The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride (CID 119710712) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride.

What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride?

The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride is Cl.Cn1ccnc1C(O)(CCNC(=O)CC1CC2CCC(C1)N2)C(F)(F)F.

What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride?

The InChIKey is AQOVSKCCMCOZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2.ClH/c1-24-7-6-22-15(24)16(26,17(18,19)20)4-5-21-14(25)10-11-8-12-2-3-13(9-11)23-12;/h6-7,11-13,23,26H,2-5,8-10H2,1H3,(H,21,25);1H.

What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride?

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride has a molecular weight of 410.87 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide;hydrochloride is sourced from PubChem (CID 119710712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).