1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone

C14H22F3N3O2 — CID 75434558

IUPAC1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCC(=O)N1CCN(C(=O)CN(CC(F)(F)F)C2CCC2)CC1
InChIInChI=1S/C14H22F3N3O2/c1-11(21)18-5-7-19(8-6-18)13(22)9-20(10-14(15,16)17)12-3-2-4-12/h12H,2-10H2,1H3
InChIKeyNCHRXSQCCHPTMC-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.09
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone

1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 75434558) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID75434558
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone
SMILESCC(=O)N1CCN(C(=O)CN(CC(F)(F)F)C2CCC2)CC1
InChIInChI=1S/C14H22F3N3O2/c1-11(21)18-5-7-19(8-6-18)13(22)9-20(10-14(15,16)17)12-3-2-4-12/h12H,2-10H2,1H3
InChIKeyNCHRXSQCCHPTMC-UHFFFAOYSA-N
XLogP1.09
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone with MolForge

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Related Compounds

1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 64850618
2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone
CID 71858831
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cycloheptylacetamide
CID 113166274
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-cyclopentylmethanesulfonamide
CID 113148846
2-[2-aminoethyl(cyclobutyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 102875219
2-[(3-methylcyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257797
2-[acetyl-[1-(3,3,3-trifluoropropanoyl)azepan-4-yl]amino]acetic acid
CID 128995305
1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone
CID 108996130
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
2-[oxepan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266351
1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone
CID 66216521

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone (CID 75434558) is 1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone is CC(=O)N1CCN(C(=O)CN(CC(F)(F)F)C2CCC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is NCHRXSQCCHPTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2/c1-11(21)18-5-7-19(8-6-18)13(22)9-20(10-14(15,16)17)12-3-2-4-12/h12H,2-10H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 321.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 75434558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).