3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid

C16H25F3N2O5 — CID 146572131

IUPAC3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid
SMILESCCOC(=O)CN(C(=O)C(C)(C)CC(F)(F)F)C1CCCN(C(=O)O)C1
InChIInChI=1S/C16H25F3N2O5/c1-4-26-12(22)9-21(11-6-5-7-20(8-11)14(24)25)13(23)15(2,3)10-16(17,18)19/h11H,4-10H2,1-3H3,(H,24,25)
InChIKeyROVSSUHHBSJNBZ-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.50
Rot. Bonds6

About 3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid

3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid (PubChem CID 146572131) has the molecular formula C16H25F3N2O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid
PubChem CID146572131
Molecular FormulaC16H25F3N2O5
Molecular Weight382.38 g/mol
Exact Mass382.17
IUPAC Name3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid
SMILESCCOC(=O)CN(C(=O)C(C)(C)CC(F)(F)F)C1CCCN(C(=O)O)C1
InChIInChI=1S/C16H25F3N2O5/c1-4-26-12(22)9-21(11-6-5-7-20(8-11)14(24)25)13(23)15(2,3)10-16(17,18)19/h11H,4-10H2,1-3H3,(H,24,25)
InChIKeyROVSSUHHBSJNBZ-UHFFFAOYSA-N
XLogP2.50
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid (CID 146572131) is 3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid is CCOC(=O)CN(C(=O)C(C)(C)CC(F)(F)F)C1CCCN(C(=O)O)C1.
What is the InChIKey of 3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid?
The InChIKey is ROVSSUHHBSJNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O5/c1-4-26-12(22)9-21(11-6-5-7-20(8-11)14(24)25)13(23)15(2,3)10-16(17,18)19/h11H,4-10H2,1-3H3,(H,24,25).
What are the key properties of 3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid?
3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid has a molecular weight of 382.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-oxoethyl)-(4,4,4-trifluoro-2,2-dimethylbutanoyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 146572131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).