N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide

C11H18F3N3O2 — CID 135186419

IUPACN-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c1-8(2)15-9(18)7-16-3-5-17(6-4-16)10(19)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,18)
InChIKeyNYXFFTFOPFMUIU-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.22
Rot. Bonds3

About N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide

N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide (PubChem CID 135186419) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
PubChem CID135186419
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC NameN-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c1-8(2)15-9(18)7-16-3-5-17(6-4-16)10(19)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,18)
InChIKeyNYXFFTFOPFMUIU-UHFFFAOYSA-N
XLogP0.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide (CID 135186419) is N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide is CC(C)NC(=O)CN1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide?
The InChIKey is NYXFFTFOPFMUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-8(2)15-9(18)7-16-3-5-17(6-4-16)10(19)11(12,13)14/h8H,3-7H2,1-2H3,(H,15,18).
What are the key properties of N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide?
N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide has a molecular weight of 281.28 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 135186419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).