2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide

C17H24F3N3O2 — CID 74250702

IUPAC2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCN1CCN(C)C(CC(=O)NCCc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C17H24F3N3O2/c1-22-9-10-23(2)14(12-22)11-16(24)21-8-7-13-5-3-4-6-15(13)25-17(18,19)20/h3-6,14H,7-12H2,1-2H3,(H,21,24)
InChIKeyCFBPMBKDKGLDAT-UHFFFAOYSA-N
MW359.39 g/mol
LogP1.88
Rot. Bonds6

About 2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide

2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 74250702) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID74250702
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCN1CCN(C)C(CC(=O)NCCc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C17H24F3N3O2/c1-22-9-10-23(2)14(12-22)11-16(24)21-8-7-13-5-3-4-6-15(13)25-17(18,19)20/h3-6,14H,7-12H2,1-2H3,(H,21,24)
InChIKeyCFBPMBKDKGLDAT-UHFFFAOYSA-N
XLogP1.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-2-(1,4-dimethylpiperazin-2-yl)acetamide
CID 74241500
2-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]acetamide
CID 28809319
(3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 97190159
3-amino-2-methyl-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 120502341
4-[2-[3-[2-(trifluoromethoxy)phenyl]propanoylamino]ethyl]benzoic acid
CID 119168879
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(2-fluorophenoxy)butanamide
CID 71980227
2-[(1,4-dimethylpiperazin-2-yl)methyl]-1-[2-(trifluoromethoxy)phenyl]guanidine
CID 119955508
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]-2-methylguanidine
CID 111831282
2-(1,4-dimethylpiperazin-2-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 91837266
1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-3-[2-(trifluoromethoxy)phenyl]propan-1-one
CID 124613138
1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 72857196
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-one
CID 115414554

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 74250702) is 2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide is CN1CCN(C)C(CC(=O)NCCc2ccccc2OC(F)(F)F)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is CFBPMBKDKGLDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-22-9-10-23(2)14(12-22)11-16(24)21-8-7-13-5-3-4-6-15(13)25-17(18,19)20/h3-6,14H,7-12H2,1-2H3,(H,21,24).
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 359.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 74250702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).