1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid

C11H17F3N2O4 — CID 63832650

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCOCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)7-20-6-3-15-10(19)16-4-1-8(2-5-16)9(17)18/h8H,1-7H2,(H,15,19)(H,17,18)
InChIKeyLIZIGVRRLHALLR-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.07
Rot. Bonds5

About 1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid

1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 63832650) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID63832650
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCCOCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)7-20-6-3-15-10(19)16-4-1-8(2-5-16)9(17)18/h8H,1-7H2,(H,15,19)(H,17,18)
InChIKeyLIZIGVRRLHALLR-UHFFFAOYSA-N
XLogP1.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Morpholin-4-yl(piperidin-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 156448490
[2-Oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 9059259
1-(2,2,2-Trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
CID 43135809
1-(3,3,3-Trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
CID 55175146
3-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63832120
1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 63834067
2-[1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 63834244
4-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 63834776
2-[1-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 64616684
4-[[3-(Trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 65530204
4-Methoxy-2-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 65530985
4-[[4-(Trifluoromethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 65531373

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 63832650) is 1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCCOCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is LIZIGVRRLHALLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c12-11(13,14)7-20-6-3-15-10(19)16-4-1-8(2-5-16)9(17)18/h8H,1-7H2,(H,15,19)(H,17,18).
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid?
1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63832650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).