4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid

C10H15F3N2O3 — CID 63123399

IUPAC4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-9(7(16)17)2-4-15(5-3-9)8(18)14-6-10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyGZYUUVDKZMFRND-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.45
Rot. Bonds2

About 4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid

4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 63123399) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID63123399
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-9(7(16)17)2-4-15(5-3-9)8(18)14-6-10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyGZYUUVDKZMFRND-UHFFFAOYSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid (CID 63123399) is 4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is GZYUUVDKZMFRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-9(7(16)17)2-4-15(5-3-9)8(18)14-6-10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid?
4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63123399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).