2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one

C11H18F3N3O2 — CID 86779760

IUPAC2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(N)C(=O)N1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c1-10(2,15)9(19)17-5-3-16(4-6-17)8(18)7-11(12,13)14/h3-7,15H2,1-2H3
InChIKeyXHGCFGLPZVNFHU-UHFFFAOYSA-N
MW281.28 g/mol
LogP0.35
Rot. Bonds2

About 2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one

2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one (PubChem CID 86779760) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one
PubChem CID86779760
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(N)C(=O)N1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H18F3N3O2/c1-10(2,15)9(19)17-5-3-16(4-6-17)8(18)7-11(12,13)14/h3-7,15H2,1-2H3
InChIKeyXHGCFGLPZVNFHU-UHFFFAOYSA-N
XLogP0.35
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311
1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 16776828
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 43251955
2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119887927
3,3,3-trifluoro-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 60818049
3,3-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 71782653
1-[4-(azetidin-3-yl)piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 66203303
1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 144808257
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
2-amino-2-methyl-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 61265445
3,3-dimethyl-1-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]butan-1-one
CID 90142666
3-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 64685940

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one (CID 86779760) is 2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one is CC(C)(N)C(=O)N1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one?
The InChIKey is XHGCFGLPZVNFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-10(2,15)9(19)17-5-3-16(4-6-17)8(18)7-11(12,13)14/h3-7,15H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one?
2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one has a molecular weight of 281.28 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 86779760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).