(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid

C16H20FNO4 — CID 124576580

IUPAC(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CCCOc2ccccc2F)C1
InChIInChI=1S/C16H20FNO4/c17-13-6-1-2-7-14(13)22-10-4-8-15(19)18-9-3-5-12(11-18)16(20)21/h1-2,6-7,12H,3-5,8-11H2,(H,20,21)/t12-/m1/s1
InChIKeyIVOOKPPYVCWYRM-GFCCVEGCSA-N
MW309.34 g/mol
LogP2.31
Rot. Bonds6

About (3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid

(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid (PubChem CID 124576580) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is (3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid
PubChem CID124576580
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)CCCOc2ccccc2F)C1
InChIInChI=1S/C16H20FNO4/c17-13-6-1-2-7-14(13)22-10-4-8-15(19)18-9-3-5-12(11-18)16(20)21/h1-2,6-7,12H,3-5,8-11H2,(H,20,21)/t12-/m1/s1
InChIKeyIVOOKPPYVCWYRM-GFCCVEGCSA-N
XLogP2.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63031287
(3S)-1-[2-(2-fluorophenoxy)acetyl]piperidine-3-carboxylic acid
CID 81125518
(2S)-4-[4-(2-fluorophenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125120396
1-[3-(2-methoxyphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 45429307
(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371594
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(2-fluorophenoxy)butan-1-one
CID 55956319
3-(2-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43403252
N-(2-aminoethyl)-1-[3-(2-fluorophenoxy)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480114
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
(3S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 94918445
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922238

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid (CID 124576580) is (3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)CCCOc2ccccc2F)C1.
What is the InChIKey of (3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid?
The InChIKey is IVOOKPPYVCWYRM-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20FNO4/c17-13-6-1-2-7-14(13)22-10-4-8-15(19)18-9-3-5-12(11-18)16(20)21/h1-2,6-7,12H,3-5,8-11H2,(H,20,21)/t12-/m1/s1.
What are the key properties of (3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid?
(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid has a molecular weight of 309.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 124576580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).