[(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate

C10H15F3N2O3 — CID 156695218

IUPAC[(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate
SMILESCC(=O)ON(C(=O)C(F)(F)F)C1CNCC(C)C1
InChIInChI=1S/C10H15F3N2O3/c1-6-3-8(5-14-4-6)15(18-7(2)16)9(17)10(11,12)13/h6,8,14H,3-5H2,1-2H3
InChIKeyNCHDZDUOFLZZKH-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.85
Rot. Bonds1

About [(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate

[(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate (PubChem CID 156695218) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is [(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate.

Molecular Properties

Compound Name[(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate
PubChem CID156695218
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name[(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate
SMILESCC(=O)ON(C(=O)C(F)(F)F)C1CNCC(C)C1
InChIInChI=1S/C10H15F3N2O3/c1-6-3-8(5-14-4-6)15(18-7(2)16)9(17)10(11,12)13/h6,8,14H,3-5H2,1-2H3
InChIKeyNCHDZDUOFLZZKH-UHFFFAOYSA-N
XLogP0.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate?
The IUPAC name of [(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate (CID 156695218) is [(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate.
What is the SMILES notation for [(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate?
The canonical SMILES for [(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate is CC(=O)ON(C(=O)C(F)(F)F)C1CNCC(C)C1.
What is the InChIKey of [(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate?
The InChIKey is NCHDZDUOFLZZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-6-3-8(5-14-4-6)15(18-7(2)16)9(17)10(11,12)13/h6,8,14H,3-5H2,1-2H3.
What are the key properties of [(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate?
[(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate has a molecular weight of 268.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methylpiperidin-3-yl)-(2,2,2-trifluoroacetyl)amino] acetate is sourced from PubChem (CID 156695218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).