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

C11H17F3N2O3 — CID 113431022

IUPAC2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C11H17F3N2O3/c1-10(8(17)18)5-3-4-6-16(10)9(19)15(2)7-11(12,13)14/h3-7H2,1-2H3,(H,17,18)
InChIKeyPUEXRTZLYHRWLQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.93
Rot. Bonds2

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

2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 113431022) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID113431022
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C11H17F3N2O3/c1-10(8(17)18)5-3-4-6-16(10)9(19)15(2)7-11(12,13)14/h3-7H2,1-2H3,(H,17,18)
InChIKeyPUEXRTZLYHRWLQ-UHFFFAOYSA-N
XLogP1.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid (CID 113431022) is 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid is CN(CC(F)(F)F)C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is PUEXRTZLYHRWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-10(8(17)18)5-3-4-6-16(10)9(19)15(2)7-11(12,13)14/h3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid?
2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 113431022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).