[(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone

C28H27FN4O — CID 129454658

About [(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone

[(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone (PubChem CID 129454658) has the molecular formula C28H27FN4O and a molecular weight of 454.55 g/mol. Its IUPAC name is [(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

• Compound Name: [(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
• PubChem CID: 129454658
• Molecular Formula: C28H27FN4O
• Molecular Weight: 454.55 g/mol
• Exact Mass: 454.22
• IUPAC Name: [(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
• SMILES: Cc1nccn1Cc1cccc(C(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)c1
• InChI: InChI=1S/C28H27FN4O/c1-20-30-14-16-32(20)18-21-7-4-8-22(17-21)28(34)33-15-6-9-23(19-33)26-12-5-13-27(31-26)24-10-2-3-11-25(24)29/h2-5,7-8,10-14,16-17,23H,6,9,15,18-19H2,1H3/t23-/m1/s1
• InChIKey: FPYBJISBAWGINL-HSZRJFAPSA-N
• XLogP: 5.46
• TPSA: 51.02 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.55
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?

The IUPAC name of [(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone (CID 129454658) is [(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone.

What is the SMILES notation for [(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?

The canonical SMILES for [(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone is Cc1nccn1Cc1cccc(C(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)c1.

What is the InChIKey of [(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?

The InChIKey is FPYBJISBAWGINL-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H27FN4O/c1-20-30-14-16-32(20)18-21-7-4-8-22(17-21)28(34)33-15-6-9-23(19-33)26-12-5-13-27(31-26)24-10-2-3-11-25(24)29/h2-5,7-8,10-14,16-17,23H,6,9,15,18-19H2,1H3/t23-/m1/s1.

What are the key properties of [(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone?

[(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone has a molecular weight of 454.55 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[3-[(2-methylimidazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 129454658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).