1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid

C14H15F2NO4 — CID 43355976

IUPAC1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)COc1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO4/c15-9-4-5-12(10(16)7-9)21-8-13(18)17-6-2-1-3-11(17)14(19)20/h4-5,7,11H,1-3,6,8H2,(H,19,20)
InChIKeyVMTRXVZDYVTJRF-UHFFFAOYSA-N
MW299.27 g/mol
LogP1.81
Rot. Bonds4

About 1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid

1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid (PubChem CID 43355976) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid
PubChem CID43355976
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)COc1ccc(F)cc1F
InChIInChI=1S/C14H15F2NO4/c15-9-4-5-12(10(16)7-9)21-8-13(18)17-6-2-1-3-11(17)14(19)20/h4-5,7,11H,1-3,6,8H2,(H,19,20)
InChIKeyVMTRXVZDYVTJRF-UHFFFAOYSA-N
XLogP1.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 79034586
1-[2-(2,5-difluorophenyl)acetyl]piperidine-2-carboxylic acid
CID 119176055
(2S)-1-[2-(4-bromo-2-chlorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 66264562
(2R)-1-[2-(2-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922074
2-(2,4-difluorophenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119649656
2-(2,4-difluorophenoxy)-1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]ethanone
CID 97131335
1-[2-(2-bromo-4-chlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43092076
1-[2-[2-(trifluoromethyl)phenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 119355551
(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79035338
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
1-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(2,4-difluorophenoxy)ethanone
CID 55595656
(2R)-1-[2-(2,5-difluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 96667389

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid (CID 43355976) is 1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)COc1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid?
The InChIKey is VMTRXVZDYVTJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-9-4-5-12(10(16)7-9)21-8-13(18)17-6-2-1-3-11(17)14(19)20/h4-5,7,11H,1-3,6,8H2,(H,19,20).
What are the key properties of 1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid?
1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenoxy)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 43355976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).