4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid

C17H20FNO5 — CID 56885496

IUPAC4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
SMILESO=C([C@@H]1CCCO1)N1CCC(Oc2cccc(F)c2)(C(=O)O)CC1
InChIInChI=1S/C17H20FNO5/c18-12-3-1-4-13(11-12)24-17(16(21)22)6-8-19(9-7-17)15(20)14-5-2-10-23-14/h1,3-4,11,14H,2,5-10H2,(H,21,22)/t14-/m0/s1
InChIKeyJQCPLLJQWQDOHT-AWEZNQCLSA-N
MW337.35 g/mol
LogP1.83
Rot. Bonds4

About 4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid

4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid (PubChem CID 56885496) has the molecular formula C17H20FNO5 and a molecular weight of 337.35 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
PubChem CID56885496
Molecular FormulaC17H20FNO5
Molecular Weight337.35 g/mol
Exact Mass337.13
IUPAC Name4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
SMILESO=C([C@@H]1CCCO1)N1CCC(Oc2cccc(F)c2)(C(=O)O)CC1
InChIInChI=1S/C17H20FNO5/c18-12-3-1-4-13(11-12)24-17(16(21)22)6-8-19(9-7-17)15(20)14-5-2-10-23-14/h1,3-4,11,14H,2,5-10H2,(H,21,22)/t14-/m0/s1
InChIKeyJQCPLLJQWQDOHT-AWEZNQCLSA-N
XLogP1.83
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-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

4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 70748832
4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 56889702
[4-[6-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110256442
N-[2-(3-fluorophenoxy)ethyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111301381
4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 56891308
2-(3-fluorophenyl)-1-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 124505549
3-(3-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110797568
[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110602338
4-methyl-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid
CID 95015441
N-(3-fluorophenyl)-2-[[N-methyl-C-[4-(oxolane-2-carbonyl)piperazin-1-yl]carbonimidoyl]amino]acetamide;hydroiodide
CID 111302754
methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362626
4-(3-fluorophenoxy)-1-[(E)-3-phenylprop-2-enyl]piperidine-4-carboxylic acid
CID 56907901

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid (CID 56885496) is 4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid is O=C([C@@H]1CCCO1)N1CCC(Oc2cccc(F)c2)(C(=O)O)CC1.
What is the InChIKey of 4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is JQCPLLJQWQDOHT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20FNO5/c18-12-3-1-4-13(11-12)24-17(16(21)22)6-8-19(9-7-17)15(20)14-5-2-10-23-14/h1,3-4,11,14H,2,5-10H2,(H,21,22)/t14-/m0/s1.
What are the key properties of 4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid?
4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 337.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-1-[(2S)-oxolane-2-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56885496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).