1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone

C21H29FN4O — CID 97268736

About 1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone

1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone (PubChem CID 97268736) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone
• PubChem CID: 97268736
• Molecular Formula: C21H29FN4O
• Molecular Weight: 372.49 g/mol
• Exact Mass: 372.23
• IUPAC Name: 1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone
• SMILES: Cc1ccc(F)cc1CC(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1
• InChI: InChI=1S/C21H29FN4O/c1-16-6-7-19(22)13-18(16)14-20(27)26-9-4-5-17(15-26)21-23-8-10-25(21)12-11-24(2)3/h6-8,10,13,17H,4-5,9,11-12,14-15H2,1-3H3/t17-/m1/s1
• InChIKey: NVEZWHWFJXZJLQ-QGZVFWFLSA-N
• XLogP: 2.84
• TPSA: 41.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.49
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone?

The IUPAC name of 1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone (CID 97268736) is 1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone.

What is the SMILES notation for 1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone?

The canonical SMILES for 1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone is Cc1ccc(F)cc1CC(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1.

What is the InChIKey of 1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone?

The InChIKey is NVEZWHWFJXZJLQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-16-6-7-19(22)13-18(16)14-20(27)26-9-4-5-17(15-26)21-23-8-10-25(21)12-11-24(2)3/h6-8,10,13,17H,4-5,9,11-12,14-15H2,1-3H3/t17-/m1/s1.

What are the key properties of 1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone?

1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone has a molecular weight of 372.49 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone is sourced from PubChem (CID 97268736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).