2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide

C11H17F3N2O2 — CID 62728779

IUPAC2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O2/c1-7(2)9(17)15-8-3-5-16(6-4-8)10(18)11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyVHYJSGROOGHZAT-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.31
Rot. Bonds2

About 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide

2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide (PubChem CID 62728779) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
PubChem CID62728779
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O2/c1-7(2)9(17)15-8-3-5-16(6-4-8)10(18)11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,17)
InChIKeyVHYJSGROOGHZAT-UHFFFAOYSA-N
XLogP1.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide (CID 62728779) is 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide?
The InChIKey is VHYJSGROOGHZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-7(2)9(17)15-8-3-5-16(6-4-8)10(18)11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide?
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide has a molecular weight of 266.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 62728779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).