1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone

C26H32FN3O3 — CID 124990360

About 1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone

1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone (PubChem CID 124990360) has the molecular formula C26H32FN3O3 and a molecular weight of 453.56 g/mol. Its IUPAC name is 1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone.

Molecular Properties

• Compound Name: 1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone
• PubChem CID: 124990360
• Molecular Formula: C26H32FN3O3
• Molecular Weight: 453.56 g/mol
• Exact Mass: 453.24
• IUPAC Name: 1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone
• SMILES: COCC(=O)N1CCC(C)(C(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)CC1
• InChI: InChI=1S/C26H32FN3O3/c1-26(12-15-29(16-13-26)24(31)18-33-2)25(32)30-14-6-11-23(30)22-10-5-8-20(28-22)17-19-7-3-4-9-21(19)27/h3-5,7-10,23H,6,11-18H2,1-2H3/t23-/m1/s1
• InChIKey: PBGFBFVZAFEGAG-HSZRJFAPSA-N
• XLogP: 3.75
• TPSA: 62.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.56
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone?

The IUPAC name of 1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone (CID 124990360) is 1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone.

What is the SMILES notation for 1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone?

The canonical SMILES for 1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(C)(C(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)CC1.

What is the InChIKey of 1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone?

The InChIKey is PBGFBFVZAFEGAG-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H32FN3O3/c1-26(12-15-29(16-13-26)24(31)18-33-2)25(32)30-14-6-11-23(30)22-10-5-8-20(28-22)17-19-7-3-4-9-21(19)27/h3-5,7-10,23H,6,11-18H2,1-2H3/t23-/m1/s1.

What are the key properties of 1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone?

1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone has a molecular weight of 453.56 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(2R)-2-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-4-methylpiperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 124990360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).