6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid

C18H18FN3O3 — CID 122052914

IUPAC6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCN(c2cccc(C(=O)O)n2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3/c19-13-6-4-12(5-7-13)17(23)20-14-8-10-22(11-9-14)16-3-1-2-15(21-16)18(24)25/h1-7,14H,8-11H2,(H,20,23)(H,24,25)
InChIKeyGCJZCQWFPIIIQC-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.32
Rot. Bonds4

About 6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122052914) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122052914
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(NC1CCN(c2cccc(C(=O)O)n2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H18FN3O3/c19-13-6-4-12(5-7-13)17(23)20-14-8-10-22(11-9-14)16-3-1-2-15(21-16)18(24)25/h1-7,14H,8-11H2,(H,20,23)(H,24,25)
InChIKeyGCJZCQWFPIIIQC-UHFFFAOYSA-N
XLogP2.32
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid (CID 122052914) is 6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid is O=C(NC1CCN(c2cccc(C(=O)O)n2)CC1)c1ccc(F)cc1.
What is the InChIKey of 6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is GCJZCQWFPIIIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-13-6-4-12(5-7-13)17(23)20-14-8-10-22(11-9-14)16-3-1-2-15(21-16)18(24)25/h1-7,14H,8-11H2,(H,20,23)(H,24,25).
What are the key properties of 6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 343.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122052914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).