1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid

C16H20FNO4 — CID 119166431

IUPAC1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
SMILESCCC(Oc1ccccc1F)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H20FNO4/c1-2-13(22-14-6-4-3-5-12(14)17)15(19)18-9-7-11(8-10-18)16(20)21/h3-6,11,13H,2,7-10H2,1H3,(H,20,21)
InChIKeyGGPBJVAMBQNODL-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.31
Rot. Bonds5

About 1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid

1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid (PubChem CID 119166431) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
PubChem CID119166431
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
SMILESCCC(Oc1ccccc1F)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H20FNO4/c1-2-13(22-14-6-4-3-5-12(14)17)15(19)18-9-7-11(8-10-18)16(20)21/h3-6,11,13H,2,7-10H2,1H3,(H,20,21)
InChIKeyGGPBJVAMBQNODL-UHFFFAOYSA-N
XLogP2.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 119625530
2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
CID 53286283
(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 9173669
2-(2-fluorophenoxy)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 136570836
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 16677782
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 124684153
2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid
CID 125119092
1-[(2S)-2-phenoxybutanoyl]piperidine-4-carboxamide
CID 895276
2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119562993
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 120808959

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid (CID 119166431) is 1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid is CCC(Oc1ccccc1F)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid?
The InChIKey is GGPBJVAMBQNODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-2-13(22-14-6-4-3-5-12(14)17)15(19)18-9-7-11(8-10-18)16(20)21/h3-6,11,13H,2,7-10H2,1H3,(H,20,21).
What are the key properties of 1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid?
1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).