2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid

C11H17F3N2O4 — CID 63876625

IUPAC2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCN(CC(F)(F)F)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C11H17F3N2O4/c1-15(7-11(12,13)14)10(19)16-4-2-8(3-5-16)20-6-9(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyPOSMAVCRIDLYSG-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.17
Rot. Bonds4

About 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid

2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63876625) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid
PubChem CID63876625
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid
SMILESCN(CC(F)(F)F)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C11H17F3N2O4/c1-15(7-11(12,13)14)10(19)16-4-2-8(3-5-16)20-6-9(17)18/h8H,2-7H2,1H3,(H,17,18)
InChIKeyPOSMAVCRIDLYSG-UHFFFAOYSA-N
XLogP1.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 55251438
4-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61735871
4-[Propyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61736267
4-[Methyl(2,2,2-trifluoroethyl)carbamoyl]morpholine-2-carboxylic acid
CID 61738409
2-{[1-(Trifluoroacetyl)piperidin-4-yl]oxy}acetic acid
CID 63869715
2-[1-[3-(2,2,2-Trifluoroethoxy)propanoyl]piperidin-4-yl]oxyacetic acid
CID 63869885
2-[1-(3,3,3-Trifluoropropanoyl)piperidin-4-yl]oxyacetic acid
CID 63870718
2-[1-(3,3,3-Trifluoropropylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875258
2-[1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 63875590
2-[1-(2,2,2-Trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid
CID 63876501
2-[1-[3-(2,2,2-Trifluoroethoxy)propyl]piperidin-4-yl]oxyacetic acid
CID 63905485
2-[1-[Methyl(3,3,3-trifluoropropyl)carbamoyl]piperidin-4-yl]oxyacetic acid
CID 65537753

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid (CID 63876625) is 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid is CN(CC(F)(F)F)C(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is POSMAVCRIDLYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-15(7-11(12,13)14)10(19)16-4-2-8(3-5-16)20-6-9(17)18/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 298.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63876625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).