2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid

C11H17F3N2O3 — CID 62675207

IUPAC2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c1-15(7-11(12,13)14)10(19)16-4-2-3-8(6-16)5-9(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyOLSAGPRTLRHTIJ-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.79
Rot. Bonds3

About 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid

2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid (PubChem CID 62675207) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid
PubChem CID62675207
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c1-15(7-11(12,13)14)10(19)16-4-2-3-8(6-16)5-9(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyOLSAGPRTLRHTIJ-UHFFFAOYSA-N
XLogP1.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid (CID 62675207) is 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid is CN(CC(F)(F)F)C(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is OLSAGPRTLRHTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-15(7-11(12,13)14)10(19)16-4-2-3-8(6-16)5-9(17)18/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid?
2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62675207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).