ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate

C16H20FNO4 — CID 5019386

IUPACethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C16H20FNO4/c1-2-21-16(20)12-6-5-9-18(10-12)15(19)11-22-14-8-4-3-7-13(14)17/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyVBMOQOKLWKRBSI-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.01
Rot. Bonds5

About ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate (PubChem CID 5019386) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate
PubChem CID5019386
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Nameethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COc2ccccc2F)C1
InChIInChI=1S/C16H20FNO4/c1-2-21-16(20)12-6-5-9-18(10-12)15(19)11-22-14-8-4-3-7-13(14)17/h3-4,7-8,12H,2,5-6,9-11H2,1H3
InChIKeyVBMOQOKLWKRBSI-UHFFFAOYSA-N
XLogP2.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate (CID 5019386) is ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)COc2ccccc2F)C1.
What is the InChIKey of ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate?
The InChIKey is VBMOQOKLWKRBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-2-21-16(20)12-6-5-9-18(10-12)15(19)11-22-14-8-4-3-7-13(14)17/h3-4,7-8,12H,2,5-6,9-11H2,1H3.
What are the key properties of ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 5019386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).