5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid

C23H22FN3O4 — CID 122513227

IUPAC5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid
SMILESNC1CCCN(c2cnc(Oc3ccc(Oc4cccc(F)c4)cc3)c(C(=O)O)c2)C1
InChIInChI=1S/C23H22FN3O4/c24-15-3-1-5-20(11-15)30-18-6-8-19(9-7-18)31-22-21(23(28)29)12-17(13-26-22)27-10-2-4-16(25)14-27/h1,3,5-9,11-13,16H,2,4,10,14,25H2,(H,28,29)
InChIKeyWJDUKVXITKOALM-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.43
Rot. Bonds6

About 5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid

5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid (PubChem CID 122513227) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is 5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid
PubChem CID122513227
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid
SMILESNC1CCCN(c2cnc(Oc3ccc(Oc4cccc(F)c4)cc3)c(C(=O)O)c2)C1
InChIInChI=1S/C23H22FN3O4/c24-15-3-1-5-20(11-15)30-18-6-8-19(9-7-18)31-22-21(23(28)29)12-17(13-26-22)27-10-2-4-16(25)14-27/h1,3,5-9,11-13,16H,2,4,10,14,25H2,(H,28,29)
InChIKeyWJDUKVXITKOALM-UHFFFAOYSA-N
XLogP4.43
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid (CID 122513227) is 5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid is NC1CCCN(c2cnc(Oc3ccc(Oc4cccc(F)c4)cc3)c(C(=O)O)c2)C1.
What is the InChIKey of 5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid?
The InChIKey is WJDUKVXITKOALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c24-15-3-1-5-20(11-15)30-18-6-8-19(9-7-18)31-22-21(23(28)29)12-17(13-26-22)27-10-2-4-16(25)14-27/h1,3,5-9,11-13,16H,2,4,10,14,25H2,(H,28,29).
What are the key properties of 5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid?
5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid has a molecular weight of 423.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopiperidin-1-yl)-2-[4-(3-fluorophenoxy)phenoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 122513227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).