2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid

C10H15F3N2O3 — CID 62690838

IUPAC2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-9(18)15-3-1-2-7(5-15)4-8(16)17/h7H,1-6H2,(H,14,18)(H,16,17)
InChIKeyUOTHAHRGUPIAOL-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.45
Rot. Bonds3

About 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid

2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid (PubChem CID 62690838) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid
PubChem CID62690838
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-9(18)15-3-1-2-7(5-15)4-8(16)17/h7H,1-6H2,(H,14,18)(H,16,17)
InChIKeyUOTHAHRGUPIAOL-UHFFFAOYSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid (CID 62690838) is 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid?
The InChIKey is UOTHAHRGUPIAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-9(18)15-3-1-2-7(5-15)4-8(16)17/h7H,1-6H2,(H,14,18)(H,16,17).
What are the key properties of 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid?
2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).