methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate

C11H17F3N2O3 — CID 115977133

IUPACmethyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-19-9(17)6-8-4-2-3-5-16(8)10(18)15-7-11(12,13)14/h8H,2-7H2,1H3,(H,15,18)
InChIKeyNOWOWVNYFYZTEM-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.68
Rot. Bonds3

About methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate

methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate (PubChem CID 115977133) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate
PubChem CID115977133
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Namemethyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-19-9(17)6-8-4-2-3-5-16(8)10(18)15-7-11(12,13)14/h8H,2-7H2,1H3,(H,15,18)
InChIKeyNOWOWVNYFYZTEM-UHFFFAOYSA-N
XLogP1.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate (CID 115977133) is methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)NCC(F)(F)F.
What is the InChIKey of methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate?
The InChIKey is NOWOWVNYFYZTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-19-9(17)6-8-4-2-3-5-16(8)10(18)15-7-11(12,13)14/h8H,2-7H2,1H3,(H,15,18).
What are the key properties of methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate?
methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate has a molecular weight of 282.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 115977133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).