3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

C13H18F3NO3 — CID 103550056

IUPAC3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H18F3NO3/c14-13(15,16)10-2-1-5-17(7-10)11(18)8-3-4-9(6-8)12(19)20/h8-10H,1-7H2,(H,19,20)
InChIKeyILDPNRQPKIRVEY-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.29
Rot. Bonds2

About 3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid

3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 103550056) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID103550056
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)N2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H18F3NO3/c14-13(15,16)10-2-1-5-17(7-10)11(18)8-3-4-9(6-8)12(19)20/h8-10H,1-7H2,(H,19,20)
InChIKeyILDPNRQPKIRVEY-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid (CID 103550056) is 3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)N2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is ILDPNRQPKIRVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c14-13(15,16)10-2-1-5-17(7-10)11(18)8-3-4-9(6-8)12(19)20/h8-10H,1-7H2,(H,19,20).
What are the key properties of 3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid?
3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 293.29 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).