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

C14H16FNO4 — CID 81125518

IUPAC(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C14H16FNO4/c15-11-5-1-2-6-12(11)20-9-13(17)16-7-3-4-10(8-16)14(18)19/h1-2,5-6,10H,3-4,7-9H2,(H,18,19)/t10-/m0/s1
InChIKeyNSOQVACWTRDBAQ-JTQLQIEISA-N
MW281.28 g/mol
LogP1.53
Rot. Bonds4

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

(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid (PubChem CID 81125518) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is (3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
PubChem CID81125518
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C14H16FNO4/c15-11-5-1-2-6-12(11)20-9-13(17)16-7-3-4-10(8-16)14(18)19/h1-2,5-6,10H,3-4,7-9H2,(H,18,19)/t10-/m0/s1
InChIKeyNSOQVACWTRDBAQ-JTQLQIEISA-N
XLogP1.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[2-(2-fluorophenoxy)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

Related Compounds

(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid
CID 124576580
(3S)-1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257555
1-[2-(2-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43239597
1-[2-(2,3-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092118
1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63031287
2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264227
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 79034586
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124611644
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 43092125
N,N-dicyclohexyl-1-[2-(2-fluorophenoxy)acetyl]azetidine-3-carboxamide
CID 90512369
2-(2-fluorophenoxy)-1-[3-(2-methylpiperidine-1-carbonyl)azetidin-1-yl]ethanone
CID 90512384

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid (CID 81125518) is (3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)COc2ccccc2F)C1.
What is the InChIKey of (3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid?
The InChIKey is NSOQVACWTRDBAQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16FNO4/c15-11-5-1-2-6-12(11)20-9-13(17)16-7-3-4-10(8-16)14(18)19/h1-2,5-6,10H,3-4,7-9H2,(H,18,19)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81125518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).