2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid

C11H17F3N2O3 — CID 106744027

IUPAC2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-7-5-8(9(17)18)3-4-16(7)10(19)15(2)6-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,17,18)
InChIKeyLMEWBUBWCCGLRQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.79
Rot. Bonds2

About 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid

2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 106744027) 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-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID106744027
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-7-5-8(9(17)18)3-4-16(7)10(19)15(2)6-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,17,18)
InChIKeyLMEWBUBWCCGLRQ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid (CID 106744027) is 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is LMEWBUBWCCGLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-7-5-8(9(17)18)3-4-16(7)10(19)15(2)6-11(12,13)14/h7-8H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid?
2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.79, 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-4-carboxylic acid is sourced from PubChem (CID 106744027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).