(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid

C14H16FNO3 — CID 42257439

IUPAC(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H16FNO3/c15-12-5-3-10(4-6-12)8-13(17)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9H2,(H,18,19)/t11-/m0/s1
InChIKeyISRBHDOSFNPUED-NSHDSACASA-N
MW265.28 g/mol
LogP1.69
Rot. Bonds3

About (3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid

(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid (PubChem CID 42257439) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is (3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
PubChem CID42257439
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H16FNO3/c15-12-5-3-10(4-6-12)8-13(17)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9H2,(H,18,19)/t11-/m0/s1
InChIKeyISRBHDOSFNPUED-NSHDSACASA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-[2-(4-fluorophenyl)acetyl]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 (3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid (CID 42257439) is (3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid?
The InChIKey is ISRBHDOSFNPUED-NSHDSACASA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-5-3-10(4-6-12)8-13(17)16-7-1-2-11(9-16)14(18)19/h3-6,11H,1-2,7-9H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 42257439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).