2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid

C10H15F3N2O3 — CID 62317587

IUPAC2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-7(9(17)18)14-2-4-15(5-3-14)8(16)6-10(11,12)13/h7H,2-6H2,1H3,(H,17,18)
InChIKeyWEPWKAFAFAADCK-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.56
Rot. Bonds3

About 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid

2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid (PubChem CID 62317587) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid
PubChem CID62317587
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-7(9(17)18)14-2-4-15(5-3-14)8(16)6-10(11,12)13/h7H,2-6H2,1H3,(H,17,18)
InChIKeyWEPWKAFAFAADCK-UHFFFAOYSA-N
XLogP0.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic 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

alpha-Ethyl-4-methyl-2,3-dioxo-1-piperazineacetic acid
CID 20955814
1,4-Di(trifluoroacetyl)piperazine-2-carboxylic acid
CID 129780271
2-[(1-Methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 59870785
(3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid
CID 130430276
(2S)-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxylic acid
CID 149739810
3-Ethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylic acid
CID 154998127
2-(4-Acetylpiperazin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 175085687
(3R)-4-(2-methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid
CID 175394799
4-(2-Methoxy-2-oxoethyl)-3-(trifluoromethyl)piperazine-1-carboxylic acid
CID 175394802
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxylic acid
CID 176358883
2-(Difluoromethyl)piperazine-1,2,4-tricarboxylic acid
CID 176888026
(2S)-1-(2,2-difluoroethyl)-4-methylpiperazine-2-carboxylic acid
CID 178028120

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid (CID 62317587) is 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid?
The InChIKey is WEPWKAFAFAADCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-7(9(17)18)14-2-4-15(5-3-14)8(16)6-10(11,12)13/h7H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid?
2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid has a molecular weight of 268.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).