3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid

C11H18FNO4 — CID 126721330

IUPAC3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid
SMILESCCOC(=O)CCC1(F)CCCN(C(=O)O)C1
InChIInChI=1S/C11H18FNO4/c1-2-17-9(14)4-6-11(12)5-3-7-13(8-11)10(15)16/h2-8H2,1H3,(H,15,16)
InChIKeyBPJNDBLNBKMDCQ-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.81
Rot. Bonds4

About 3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid

3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid (PubChem CID 126721330) has the molecular formula C11H18FNO4 and a molecular weight of 247.27 g/mol. Its IUPAC name is 3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid
PubChem CID126721330
Molecular FormulaC11H18FNO4
Molecular Weight247.27 g/mol
Exact Mass247.12
IUPAC Name3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid
SMILESCCOC(=O)CCC1(F)CCCN(C(=O)O)C1
InChIInChI=1S/C11H18FNO4/c1-2-17-9(14)4-6-11(12)5-3-7-13(8-11)10(15)16/h2-8H2,1H3,(H,15,16)
InChIKeyBPJNDBLNBKMDCQ-UHFFFAOYSA-N
XLogP1.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-((3S)-1-((tert-butoxy)carbonyl)piperidin-3-yl)propanoic acid
CID 1502091
3-[(3R)-1-[(tert-butoxy)carbonyl]piperidin-3-yl]propanoic acid
CID 1502092
1-Boc-piperidin-3-yl-propionic acid
CID 2756824
1-Fluorobutyl 3-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 67635392
4-(2-Ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylic acid
CID 69672239
Methyl 4-(2-ethoxy-2-oxoethyl)-3-fluoropiperidine-1-carboxylate
CID 71189164
3-[(3R)-1-tert-butoxycarbonyl-3-fluoro-3-piperidyl]propanoic acid
CID 97354656
3-(1-(tert-Butoxycarbonyl)-3-fluoropiperidin-3-yl)propanoic acid
CID 118798411
Tert-butyl 3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate
CID 126739377
tert-butyl (3R)-3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylate
CID 126739379
3-Ethoxycarbonyl-3-fluoropiperidine-1-carboxylic acid
CID 131987279
Ethyl 3-(3-fluoro-1-formylpiperidin-3-yl)propanoate
CID 131996982

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of 3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid (CID 126721330) is 3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for 3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for 3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid is CCOC(=O)CCC1(F)CCCN(C(=O)O)C1.
What is the InChIKey of 3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is BPJNDBLNBKMDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO4/c1-2-17-9(14)4-6-11(12)5-3-7-13(8-11)10(15)16/h2-8H2,1H3,(H,15,16).
What are the key properties of 3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid?
3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 247.27 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 3-(3-ethoxy-3-oxopropyl)-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 126721330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).