3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one

C23H25FN4O — CID 95839172

About 3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one

3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one (PubChem CID 95839172) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
• PubChem CID: 95839172
• Molecular Formula: C23H25FN4O
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.20
• IUPAC Name: 3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
• SMILES: Cc1nccn1-c1cccc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1
• InChI: InChI=1S/C23H25FN4O/c1-17-25-13-16-28(17)22-4-2-3-21(26-22)19-11-14-27(15-12-19)23(29)10-7-18-5-8-20(24)9-6-18/h2-6,8-9,13,16,19H,7,10-12,14-15H2,1H3
• InChIKey: BVGRLQHZLQEOJG-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The IUPAC name of 3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one (CID 95839172) is 3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one is Cc1nccn1-c1cccc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1.

What is the InChIKey of 3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one?

The InChIKey is BVGRLQHZLQEOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-17-25-13-16-28(17)22-4-2-3-21(26-22)19-11-14-27(15-12-19)23(29)10-7-18-5-8-20(24)9-6-18/h2-6,8-9,13,16,19H,7,10-12,14-15H2,1H3.

What are the key properties of 3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one?

3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one has a molecular weight of 392.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95839172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).