4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid

C20H21FN2O5 — CID 175721656

IUPAC4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid
SMILESCOC(=O)c1ccc(COc2cccc(C3CCN(C(=O)O)CC3)n2)cc1F
InChIInChI=1S/C20H21FN2O5/c1-27-19(24)15-6-5-13(11-16(15)21)12-28-18-4-2-3-17(22-18)14-7-9-23(10-8-14)20(25)26/h2-6,11,14H,7-10,12H2,1H3,(H,25,26)
InChIKeyQCCOLBHVDRYITH-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.44
Rot. Bonds5

About 4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid

4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid (PubChem CID 175721656) has the molecular formula C20H21FN2O5 and a molecular weight of 388.40 g/mol. Its IUPAC name is 4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid
PubChem CID175721656
Molecular FormulaC20H21FN2O5
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Name4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid
SMILESCOC(=O)c1ccc(COc2cccc(C3CCN(C(=O)O)CC3)n2)cc1F
InChIInChI=1S/C20H21FN2O5/c1-27-19(24)15-6-5-13(11-16(15)21)12-28-18-4-2-3-17(22-18)14-7-9-23(10-8-14)20(25)26/h2-6,11,14H,7-10,12H2,1H3,(H,25,26)
InChIKeyQCCOLBHVDRYITH-UHFFFAOYSA-N
XLogP3.44
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid (CID 175721656) is 4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid is COC(=O)c1ccc(COc2cccc(C3CCN(C(=O)O)CC3)n2)cc1F.
What is the InChIKey of 4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid?
The InChIKey is QCCOLBHVDRYITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O5/c1-27-19(24)15-6-5-13(11-16(15)21)12-28-18-4-2-3-17(22-18)14-7-9-23(10-8-14)20(25)26/h2-6,11,14H,7-10,12H2,1H3,(H,25,26).
What are the key properties of 4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid?
4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid has a molecular weight of 388.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3-fluoro-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175721656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).