(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid

C20H22FN3O4 — CID 165420544

About (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid

(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 165420544) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
• PubChem CID: 165420544
• Molecular Formula: C20H22FN3O4
• Molecular Weight: 387.41 g/mol
• Exact Mass: 387.16
• IUPAC Name: (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid
• SMILES: CNC(=O)c1ccnc(N2CC[C@@H](O)[C@](Cc3ccc(F)cc3)(C(=O)O)C2)c1
• InChI: InChI=1S/C20H22FN3O4/c1-22-18(26)14-6-8-23-17(10-14)24-9-7-16(25)20(12-24,19(27)28)11-13-2-4-15(21)5-3-13/h2-6,8,10,16,25H,7,9,11-12H2,1H3,(H,22,26)(H,27,28)/t16-,20-/m1/s1
• InChIKey: PTIJVJVQKKGZEB-OXQOHEQNSA-N
• XLogP: 1.47
• TPSA: 102.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.41
LogP ≤ 5	1.47
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-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid?

The IUPAC name of (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid (CID 165420544) is (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid.

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

The canonical SMILES for (3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid is CNC(=O)c1ccnc(N2CC[C@@H](O)[C@](Cc3ccc(F)cc3)(C(=O)O)C2)c1.

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

The InChIKey is PTIJVJVQKKGZEB-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-22-18(26)14-6-8-23-17(10-14)24-9-7-16(25)20(12-24,19(27)28)11-13-2-4-15(21)5-3-13/h2-6,8,10,16,25H,7,9,11-12H2,1H3,(H,22,26)(H,27,28)/t16-,20-/m1/s1.

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

(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 387.41 g/mol, XLogP of 1.47, 5 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-[4-(methylcarbamoyl)-2-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 165420544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).