1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid

C15H18FNO4 — CID 43239669

IUPAC1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
SMILESCC(Oc1ccc(F)cc1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H18FNO4/c1-10(21-13-6-4-12(16)5-7-13)14(18)17-8-2-3-11(9-17)15(19)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20)
InChIKeyHIVHIINFTCJHBW-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.92
Rot. Bonds4

About 1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid

1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid (PubChem CID 43239669) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
PubChem CID43239669
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
SMILESCC(Oc1ccc(F)cc1)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C15H18FNO4/c1-10(21-13-6-4-12(16)5-7-13)14(18)17-8-2-3-11(9-17)15(19)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20)
InChIKeyHIVHIINFTCJHBW-UHFFFAOYSA-N
XLogP1.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid (CID 43239669) is 1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid is CC(Oc1ccc(F)cc1)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is HIVHIINFTCJHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-10(21-13-6-4-12(16)5-7-13)14(18)17-8-2-3-11(9-17)15(19)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,20).
What are the key properties of 1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid?
1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43239669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).