3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid

C11H16F3NO4 — CID 103205972

IUPAC3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)COCC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO4/c1-10(9(17)18)3-2-4-15(6-10)8(16)5-19-7-11(12,13)14/h2-7H2,1H3,(H,17,18)
InChIKeyCVYOMYYYLBRHCW-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.28
Rot. Bonds4

About 3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid

3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid (PubChem CID 103205972) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid
PubChem CID103205972
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)COCC(F)(F)F)C1
InChIInChI=1S/C11H16F3NO4/c1-10(9(17)18)3-2-4-15(6-10)8(16)5-19-7-11(12,13)14/h2-7H2,1H3,(H,17,18)
InChIKeyCVYOMYYYLBRHCW-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(ethoxyacetyl)-3-piperidinecarboxylate
CID 2947372
ethyl 2,2-difluoro-2-[4-hydroxy-1-[(2S)-2-methoxy-2-methylbutanoyl]piperidin-4-yl]acetate
CID 164634473
3-Ethoxycarbonyl-3-(fluoromethyl)piperidine-1-carboxylic acid
CID 135331522
3-Butoxycarbonyl-5,5-difluoro-3-methylpiperidine-1-carboxylic acid
CID 174746310
6-Oxo-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid
CID 62216077
3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid
CID 63133965
3-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid
CID 63134263
3-Ethyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-3-carboxylic acid
CID 63135989
3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid
CID 63136825
3-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid
CID 63137173
3-Methyl-1-(2,2,2-trifluoroethoxycarbonyl)piperidine-3-carboxylic acid
CID 63138115
3-Propyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxylic acid
CID 63140745

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid (CID 103205972) is 3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)COCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid?
The InChIKey is CVYOMYYYLBRHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-10(9(17)18)3-2-4-15(6-10)8(16)5-19-7-11(12,13)14/h2-7H2,1H3,(H,17,18).
What are the key properties of 3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid?
3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2,2,2-trifluoroethoxy)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 103205972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).