3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid

C10H15F3N2O4 — CID 121473810

IUPAC3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid
SMILESCOCNC(=O)C1CC(C(F)(F)F)CN(C(=O)O)C1
InChIInChI=1S/C10H15F3N2O4/c1-19-5-14-8(16)6-2-7(10(11,12)13)4-15(3-6)9(17)18/h6-7H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyLFTITOSLYIVUMV-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.88
Rot. Bonds3

About 3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid

3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid (PubChem CID 121473810) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid
PubChem CID121473810
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid
SMILESCOCNC(=O)C1CC(C(F)(F)F)CN(C(=O)O)C1
InChIInChI=1S/C10H15F3N2O4/c1-19-5-14-8(16)6-2-7(10(11,12)13)4-15(3-6)9(17)18/h6-7H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyLFTITOSLYIVUMV-UHFFFAOYSA-N
XLogP0.88
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid (CID 121473810) is 3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid is COCNC(=O)C1CC(C(F)(F)F)CN(C(=O)O)C1.
What is the InChIKey of 3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid?
The InChIKey is LFTITOSLYIVUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-19-5-14-8(16)6-2-7(10(11,12)13)4-15(3-6)9(17)18/h6-7H,2-5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid?
3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 121473810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).