methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate

C12H19F3N2O3 — CID 79805341

IUPACmethyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-11(16,12(13,14)15)10(19)17-6-4-3-5-8(17)7-9(18)20-2/h8H,3-7,16H2,1-2H3
InChIKeyGXNGWZWGTPPWKU-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.21
Rot. Bonds3

About methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate

methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate (PubChem CID 79805341) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate
PubChem CID79805341
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Namemethyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-11(16,12(13,14)15)10(19)17-6-4-3-5-8(17)7-9(18)20-2/h8H,3-7,16H2,1-2H3
InChIKeyGXNGWZWGTPPWKU-UHFFFAOYSA-N
XLogP1.21
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate (CID 79805341) is methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate?
The InChIKey is GXNGWZWGTPPWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-11(16,12(13,14)15)10(19)17-6-4-3-5-8(17)7-9(18)20-2/h8H,3-7,16H2,1-2H3.
What are the key properties of methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate?
methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate has a molecular weight of 296.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 79805341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).