(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid

C19H19FN2O5 — CID 166617407

About (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid

(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 166617407) has the molecular formula C19H19FN2O5 and a molecular weight of 374.37 g/mol. Its IUPAC name is (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
• PubChem CID: 166617407
• Molecular Formula: C19H19FN2O5
• Molecular Weight: 374.37 g/mol
• Exact Mass: 374.13
• IUPAC Name: (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
• SMILES: O=C(c1ccc(O)cn1)N1CC[C@@H](O)[C@](Cc2ccc(F)cc2)(C(=O)O)C1
• InChI: InChI=1S/C19H19FN2O5/c20-13-3-1-12(2-4-13)9-19(18(26)27)11-22(8-7-16(19)24)17(25)15-6-5-14(23)10-21-15/h1-6,10,16,23-24H,7-9,11H2,(H,26,27)/t16-,19-/m1/s1
• InChIKey: PQNRSFRYEWHDBK-VQIMIIECSA-N
• XLogP: 1.45
• TPSA: 110.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.37
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid?

The IUPAC name of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid (CID 166617407) is (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid.

What is the SMILES notation for (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid?

The canonical SMILES for (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid is O=C(c1ccc(O)cn1)N1CC[C@@H](O)[C@](Cc2ccc(F)cc2)(C(=O)O)C1.

What is the InChIKey of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid?

The InChIKey is PQNRSFRYEWHDBK-VQIMIIECSA-N. The full InChI is InChI=1S/C19H19FN2O5/c20-13-3-1-12(2-4-13)9-19(18(26)27)11-22(8-7-16(19)24)17(25)15-6-5-14(23)10-21-15/h1-6,10,16,23-24H,7-9,11H2,(H,26,27)/t16-,19-/m1/s1.

What are the key properties of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid?

(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 374.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(5-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 166617407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).