(2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate

C11H17F3N2O3 — CID 69289345

IUPAC(2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate
SMILESCC(C)N1CCC(OC(=O)C(F)(F)F)CC1C(N)=O
InChIInChI=1S/C11H17F3N2O3/c1-6(2)16-4-3-7(5-8(16)9(15)17)19-10(18)11(12,13)14/h6-8H,3-5H2,1-2H3,(H2,15,17)
InChIKeyZKXFKWVQNFNNIJ-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.82
Rot. Bonds3

About (2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate

(2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate (PubChem CID 69289345) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is (2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate
PubChem CID69289345
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name(2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate
SMILESCC(C)N1CCC(OC(=O)C(F)(F)F)CC1C(N)=O
InChIInChI=1S/C11H17F3N2O3/c1-6(2)16-4-3-7(5-8(16)9(15)17)19-10(18)11(12,13)14/h6-8H,3-5H2,1-2H3,(H2,15,17)
InChIKeyZKXFKWVQNFNNIJ-UHFFFAOYSA-N
XLogP0.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate (CID 69289345) is (2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate is CC(C)N1CCC(OC(=O)C(F)(F)F)CC1C(N)=O.
What is the InChIKey of (2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate?
The InChIKey is ZKXFKWVQNFNNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-6(2)16-4-3-7(5-8(16)9(15)17)19-10(18)11(12,13)14/h6-8H,3-5H2,1-2H3,(H2,15,17).
What are the key properties of (2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate?
(2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate has a molecular weight of 282.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-1-propan-2-ylpiperidin-4-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 69289345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).