(4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone

C23H25FN4O — CID 95838776

About (4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone

(4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 95838776) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
• PubChem CID: 95838776
• Molecular Formula: C23H25FN4O
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.20
• IUPAC Name: (4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
• SMILES: CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1
• InChI: InChI=1S/C23H25FN4O/c1-16(2)22-25-12-14-28(22)21-7-3-6-20(26-21)18-5-4-13-27(15-18)23(29)17-8-10-19(24)11-9-17/h3,6-12,14,16,18H,4-5,13,15H2,1-2H3/t18-/m1/s1
• InChIKey: SQFLDTIYBPHCIN-GOSISDBHSA-N
• XLogP: 4.55
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone (CID 95838776) is (4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone.

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

The canonical SMILES for (4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone is CC(C)c1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1.

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

The InChIKey is SQFLDTIYBPHCIN-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-16(2)22-25-12-14-28(22)21-7-3-6-20(26-21)18-5-4-13-27(15-18)23(29)17-8-10-19(24)11-9-17/h3,6-12,14,16,18H,4-5,13,15H2,1-2H3/t18-/m1/s1.

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

(4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 392.48 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95838776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).