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

C11H17F3N2O3 — CID 55049325

IUPAC3-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESC1CN(CCC1CCC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-15-10(19)16-5-3-8(4-6-16)1-2-9(17)18/h8H,1-7H2,(H,15,19)(H,17,18)
InChIKeyGEPKVVMKILZGDF-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.30
Rot. Bonds4

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

3-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid (PubChem CID 55049325) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid
PubChem CID55049325
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name3-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid
SMILESC1CN(CCC1CCC(=O)O)C(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-15-10(19)16-5-3-8(4-6-16)1-2-9(17)18/h8H,1-7H2,(H,15,19)(H,17,18)
InChIKeyGEPKVVMKILZGDF-UHFFFAOYSA-N
XLogP1.30
TPSA69.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity326

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid (CID 55049325) is 3-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid is C1CN(CCC1CCC(=O)O)C(=O)NCC(F)(F)F.
What is the InChIKey of 3-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid?
The InChIKey is GEPKVVMKILZGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)7-15-10(19)16-5-3-8(4-6-16)1-2-9(17)18/h8H,1-7H2,(H,15,19)(H,17,18).
What are the key properties of 3-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid?
3-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid has a molecular weight of 282.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 55049325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).