1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone

C20H25F3N4O — CID 72857287

About 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone

1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone (PubChem CID 72857287) has the molecular formula C20H25F3N4O and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone.

Molecular Properties

• Compound Name: 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone
• PubChem CID: 72857287
• Molecular Formula: C20H25F3N4O
• Molecular Weight: 394.44 g/mol
• Exact Mass: 394.20
• IUPAC Name: 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone
• SMILES: CN(C)CCn1ccnc1C1CCCN(C(=O)Cc2ccc(F)c(F)c2F)C1
• InChI: InChI=1S/C20H25F3N4O/c1-25(2)10-11-26-9-7-24-20(26)15-4-3-8-27(13-15)17(28)12-14-5-6-16(21)19(23)18(14)22/h5-7,9,15H,3-4,8,10-13H2,1-2H3
• InChIKey: QWRIAKFGGOQJGU-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.44
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone?

The IUPAC name of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone (CID 72857287) is 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone.

What is the SMILES notation for 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone?

The canonical SMILES for 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone is CN(C)CCn1ccnc1C1CCCN(C(=O)Cc2ccc(F)c(F)c2F)C1.

What is the InChIKey of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone?

The InChIKey is QWRIAKFGGOQJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O/c1-25(2)10-11-26-9-7-24-20(26)15-4-3-8-27(13-15)17(28)12-14-5-6-16(21)19(23)18(14)22/h5-7,9,15H,3-4,8,10-13H2,1-2H3.

What are the key properties of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone?

1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone has a molecular weight of 394.44 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone is sourced from PubChem (CID 72857287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).