1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid

C15H18FNO4 — CID 43355815

IUPAC1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCOc2cccc(F)c2)C1
InChIInChI=1S/C15H18FNO4/c16-12-4-1-5-13(9-12)21-8-6-14(18)17-7-2-3-11(10-17)15(19)20/h1,4-5,9,11H,2-3,6-8,10H2,(H,19,20)
InChIKeyRBAJXXZLEHXCIG-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.92
Rot. Bonds5

About 1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid

1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid (PubChem CID 43355815) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
PubChem CID43355815
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCOc2cccc(F)c2)C1
InChIInChI=1S/C15H18FNO4/c16-12-4-1-5-13(9-12)21-8-6-14(18)17-7-2-3-11(10-17)15(19)20/h1,4-5,9,11H,2-3,6-8,10H2,(H,19,20)
InChIKeyRBAJXXZLEHXCIG-UHFFFAOYSA-N
XLogP1.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid (CID 43355815) is 1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CCOc2cccc(F)c2)C1.
What is the InChIKey of 1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is RBAJXXZLEHXCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-12-4-1-5-13(9-12)21-8-6-14(18)17-7-2-3-11(10-17)15(19)20/h1,4-5,9,11H,2-3,6-8,10H2,(H,19,20).
What are the key properties of 1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid?
1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenoxy)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43355815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).