3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid

C11H16F3NO4 — CID 55049464

IUPAC3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-19-10(18)15-5-3-8(4-6-15)1-2-9(16)17/h8H,1-7H2,(H,16,17)
InChIKeyKRJPWBJDDSIUJD-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.26
Rot. Bonds4

About 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid

3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid (PubChem CID 55049464) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid
PubChem CID55049464
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-19-10(18)15-5-3-8(4-6-15)1-2-9(16)17/h8H,1-7H2,(H,16,17)
InChIKeyKRJPWBJDDSIUJD-UHFFFAOYSA-N
XLogP2.26
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-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

3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)propanoic acid
CID 1512540
3-{1-[(Tert-butoxy)carbonyl]piperidin-4-yl}-2-methylpropanoicacid
CID 21180615
(2R)-3-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-2-methylpropanoic acid
CID 67177644
3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)butanoic acid
CID 71691536
2-{1-[(Tert-butoxy)carbonyl]piperidin-3-yl}-2-fluoroacetic acid
CID 105514236
2-(1-((Tert-butoxy)carbonyl)piperidin-3-yl)-2,2-difluoroacetic acid
CID 105521267
3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)-3,3-difluoropropanoic acid
CID 105527613
3-[1-(4,4-Difluorocyclohexanecarbonyl)piperidin-4-yl]propanoic acid
CID 81928282
1-[(Cyclopropylmethoxy)carbonyl]-4-(trifluoromethyl)piperidine-2-carboxylic acid
CID 136562133
1-[(2,2,2-Trifluoroethoxy)carbonyl]piperidine-4-carboxylic acid
CID 16227155
Ethyl 3-(1-(t-butoxycarbonyl)-piperidin-4-yl)-3-hydroxy-2,2-difluoropropionate
CID 21180610
Ethyl 3-(1-(t-butoxycarbonyl)-piperidin-4-yl)-2.2-difluoropropionate
CID 21180691

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid (CID 55049464) is 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is KRJPWBJDDSIUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c12-11(13,14)7-19-10(18)15-5-3-8(4-6-15)1-2-9(16)17/h8H,1-7H2,(H,16,17).
What are the key properties of 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid?
3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 283.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 55049464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).