1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid

C11H17F3N2O3 — CID 55010133

IUPAC1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-15(7-11(12,13)14)10(19)16-5-3-4-8(6-16)9(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyRBWJQZSWSJOYMN-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.79
Rot. Bonds3

About 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid

1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 55010133) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID55010133
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-15(7-11(12,13)14)10(19)16-5-3-4-8(6-16)9(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyRBWJQZSWSJOYMN-UHFFFAOYSA-N
XLogP1.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid (CID 55010133) is 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid is CCN(CC(F)(F)F)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is RBWJQZSWSJOYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-15(7-11(12,13)14)10(19)16-5-3-4-8(6-16)9(17)18/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid?
1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 55010133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).