1-(4-fluorobenzoyl)piperidine-3-carboxylic acid

C13H14FNO3 — CID 4713643

IUPAC1-(4-fluorobenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H14FNO3/c14-11-5-3-9(4-6-11)12(16)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18)
InChIKeyRVLHLMFNCSEIHG-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.76
Rot. Bonds2

About 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid

1-(4-fluorobenzoyl)piperidine-3-carboxylic acid (PubChem CID 4713643) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)piperidine-3-carboxylic acid
PubChem CID4713643
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name1-(4-fluorobenzoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H14FNO3/c14-11-5-3-9(4-6-11)12(16)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18)
InChIKeyRVLHLMFNCSEIHG-UHFFFAOYSA-N
XLogP1.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid (CID 4713643) is 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid?
The InChIKey is RVLHLMFNCSEIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-11-5-3-9(4-6-11)12(16)15-7-1-2-10(8-15)13(17)18/h3-6,10H,1-2,7-8H2,(H,17,18).
What are the key properties of 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid?
1-(4-fluorobenzoyl)piperidine-3-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 4713643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).