1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid

C15H16F3NO5 — CID 18801306

IUPAC1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)COc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H16F3NO5/c16-15(17,18)24-12-5-3-11(4-6-12)23-9-13(20)19-7-1-2-10(8-19)14(21)22/h3-6,10H,1-2,7-9H2,(H,21,22)
InChIKeyJXDZMEDULKALFP-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.29
Rot. Bonds5

About 1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid

1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid (PubChem CID 18801306) has the molecular formula C15H16F3NO5 and a molecular weight of 347.29 g/mol. Its IUPAC name is 1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid
PubChem CID18801306
Molecular FormulaC15H16F3NO5
Molecular Weight347.29 g/mol
Exact Mass347.10
IUPAC Name1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)COc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C15H16F3NO5/c16-15(17,18)24-12-5-3-11(4-6-12)23-9-13(20)19-7-1-2-10(8-19)14(21)22/h3-6,10H,1-2,7-9H2,(H,21,22)
InChIKeyJXDZMEDULKALFP-UHFFFAOYSA-N
XLogP2.29
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid (CID 18801306) is 1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)COc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid?
The InChIKey is JXDZMEDULKALFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO5/c16-15(17,18)24-12-5-3-11(4-6-12)23-9-13(20)19-7-1-2-10(8-19)14(21)22/h3-6,10H,1-2,7-9H2,(H,21,22).
What are the key properties of 1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid?
1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid has a molecular weight of 347.29 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 1-[2-[4-(trifluoromethoxy)phenoxy]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 18801306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).