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

C14H16FNO4 — CID 79034586

IUPAC(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)COc1ccccc1F
InChIInChI=1S/C14H16FNO4/c15-10-5-1-2-7-12(10)20-9-13(17)16-8-4-3-6-11(16)14(18)19/h1-2,5,7,11H,3-4,6,8-9H2,(H,18,19)/t11-/m1/s1
InChIKeyAVKUKWFRZWWOBE-LLVKDONJSA-N
MW281.28 g/mol
LogP1.67
Rot. Bonds4

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

(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid (PubChem CID 79034586) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is (2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
PubChem CID79034586
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)COc1ccccc1F
InChIInChI=1S/C14H16FNO4/c15-10-5-1-2-7-12(10)20-9-13(17)16-8-4-3-6-11(16)14(18)19/h1-2,5,7,11H,3-4,6,8-9H2,(H,18,19)/t11-/m1/s1
InChIKeyAVKUKWFRZWWOBE-LLVKDONJSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 43355976
(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922238
(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371594
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 119468063
1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 119355551
2-(2-fluorophenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636221
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2-fluorophenoxy)ethanone;hydrochloride
CID 119436216
(2S)-1-[3-(2,6-difluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99623401
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
1-[2-[2-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethoxy]-3-methylphenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 22717245

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid (CID 79034586) is (2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)COc1ccccc1F.
What is the InChIKey of (2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid?
The InChIKey is AVKUKWFRZWWOBE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-10-5-1-2-7-12(10)20-9-13(17)16-8-4-3-6-11(16)14(18)19/h1-2,5,7,11H,3-4,6,8-9H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79034586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).