1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid

C13H18F3NO3 — CID 174730039

IUPAC1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(C(F)(F)F)CCCC2)CC1
InChIInChI=1S/C13H18F3NO3/c14-13(15,16)12(5-1-2-6-12)11(20)17-7-3-9(4-8-17)10(18)19/h9H,1-8H2,(H,18,19)
InChIKeyLWMXCCDMDRJJDK-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.43
Rot. Bonds2

About 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid

1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid (PubChem CID 174730039) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid
PubChem CID174730039
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(C(F)(F)F)CCCC2)CC1
InChIInChI=1S/C13H18F3NO3/c14-13(15,16)12(5-1-2-6-12)11(20)17-7-3-9(4-8-17)10(18)19/h9H,1-8H2,(H,18,19)
InChIKeyLWMXCCDMDRJJDK-UHFFFAOYSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid (CID 174730039) is 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)C2(C(F)(F)F)CCCC2)CC1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid?
The InChIKey is LWMXCCDMDRJJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c14-13(15,16)12(5-1-2-6-12)11(20)17-7-3-9(4-8-17)10(18)19/h9H,1-8H2,(H,18,19).
What are the key properties of 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid?
1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 174730039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).