3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid

C14H23F3N2O3 — CID 119139203

IUPAC3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCN(CCC(=O)O)C1
InChIInChI=1S/C14H23F3N2O3/c1-2-6-19(10-14(15,16)17)13(22)11-4-3-7-18(9-11)8-5-12(20)21/h11H,2-10H2,1H3,(H,20,21)
InChIKeyKQPNDACIRPUSNP-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.97
Rot. Bonds7

About 3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid

3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid (PubChem CID 119139203) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid
PubChem CID119139203
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Name3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCN(CCC(=O)O)C1
InChIInChI=1S/C14H23F3N2O3/c1-2-6-19(10-14(15,16)17)13(22)11-4-3-7-18(9-11)8-5-12(20)21/h11H,2-10H2,1H3,(H,20,21)
InChIKeyKQPNDACIRPUSNP-UHFFFAOYSA-N
XLogP1.97
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid (CID 119139203) is 3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid is CCCN(CC(F)(F)F)C(=O)C1CCCN(CCC(=O)O)C1.
What is the InChIKey of 3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid?
The InChIKey is KQPNDACIRPUSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-2-6-19(10-14(15,16)17)13(22)11-4-3-7-18(9-11)8-5-12(20)21/h11H,2-10H2,1H3,(H,20,21).
What are the key properties of 3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid?
3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid has a molecular weight of 324.34 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 119139203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).