2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C12H17F3N2O4 — CID 79265267

IUPAC2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(=O)N1CCC(C(=O)N(CC(=O)O)CC(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O4/c1-8(18)16-4-2-9(3-5-16)11(21)17(6-10(19)20)7-12(13,14)15/h9H,2-7H2,1H3,(H,19,20)
InChIKeyCFRQNJKURYUHDC-UHFFFAOYSA-N
MW310.27 g/mol
LogP0.72
Rot. Bonds4

About 2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265267) has the molecular formula C12H17F3N2O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265267
Molecular FormulaC12H17F3N2O4
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(=O)N1CCC(C(=O)N(CC(=O)O)CC(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O4/c1-8(18)16-4-2-9(3-5-16)11(21)17(6-10(19)20)7-12(13,14)15/h9H,2-7H2,1H3,(H,19,20)
InChIKeyCFRQNJKURYUHDC-UHFFFAOYSA-N
XLogP0.72
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[(1-acetylpiperidine-4-carbonyl)-tert-butylamino]acetic acid
CID 79266328
2-[(1-acetylpiperidine-4-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347235
2-[azepane-1-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258890
2-[[(3R)-piperidine-3-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81133973
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265045
2-[1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 102893318
N-(2,2-dimethylpropyl)-1-[(E)-3-phenylprop-2-enoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56531034
2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266286
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81116489
2-[cyclopentanecarbonyl(propyl)amino]acetic acid
CID 61011527
2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119136399
2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-methylamino]acetic acid
CID 43356245

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265267) is 2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC(=O)N1CCC(C(=O)N(CC(=O)O)CC(F)(F)F)CC1.
What is the InChIKey of 2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is CFRQNJKURYUHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O4/c1-8(18)16-4-2-9(3-5-16)11(21)17(6-10(19)20)7-12(13,14)15/h9H,2-7H2,1H3,(H,19,20).
What are the key properties of 2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 310.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).