4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid

C19H19FN2O4 — CID 56900262

IUPAC4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid
SMILESO=C(Cc1ccncc1)N1CCC(Oc2ccc(F)cc2)(C(=O)O)CC1
InChIInChI=1S/C19H19FN2O4/c20-15-1-3-16(4-2-15)26-19(18(24)25)7-11-22(12-8-19)17(23)13-14-5-9-21-10-6-14/h1-6,9-10H,7-8,11-13H2,(H,24,25)
InChIKeyVFVYZIVSSDYLKD-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.29
Rot. Bonds5

About 4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid

4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid (PubChem CID 56900262) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid
PubChem CID56900262
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid
SMILESO=C(Cc1ccncc1)N1CCC(Oc2ccc(F)cc2)(C(=O)O)CC1
InChIInChI=1S/C19H19FN2O4/c20-15-1-3-16(4-2-15)26-19(18(24)25)7-11-22(12-8-19)17(23)13-14-5-9-21-10-6-14/h1-6,9-10H,7-8,11-13H2,(H,24,25)
InChIKeyVFVYZIVSSDYLKD-UHFFFAOYSA-N
XLogP2.29
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenoxy)-1-(2-pyrrol-1-ylacetyl)piperidine-4-carboxylic acid
CID 56901005
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
1-[2-(4-fluorophenyl)acetyl]-4-phenylpiperidine-4-carboxylic acid
CID 22240695
2-(4-fluorophenyl)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617113
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059
3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63146595
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-phenylethanone
CID 110396939
2-pyridin-4-yl-1-spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-1'-ylethanone
CID 121350893
1-[(4-fluorophenyl)methyl]-4-(2-pyridin-4-ylacetyl)piperazin-2-one
CID 90649312
4-(3-fluorophenoxy)-1-pyridin-4-ylpiperidine-4-carboxylic acid
CID 56891308

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid (CID 56900262) is 4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid is O=C(Cc1ccncc1)N1CCC(Oc2ccc(F)cc2)(C(=O)O)CC1.
What is the InChIKey of 4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid?
The InChIKey is VFVYZIVSSDYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-15-1-3-16(4-2-15)26-19(18(24)25)7-11-22(12-8-19)17(23)13-14-5-9-21-10-6-14/h1-6,9-10H,7-8,11-13H2,(H,24,25).
What are the key properties of 4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid?
4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid has a molecular weight of 358.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-1-(2-pyridin-4-ylacetyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56900262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).