ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one

C15H24F3N3O — CID 145287434

IUPACethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC.CC(C)C(=O)N1CCC(n2cnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H18F3N3O.C2H6/c1-9(2)12(20)18-5-3-10(4-6-18)19-7-11(17-8-19)13(14,15)16;1-2/h7-10H,3-6H2,1-2H3;1-2H3
InChIKeyRWPRZLGLCSHANF-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.75
Rot. Bonds2

About ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one

ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 145287434) has the molecular formula C15H24F3N3O and a molecular weight of 319.37 g/mol. Its IUPAC name is ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID145287434
Molecular FormulaC15H24F3N3O
Molecular Weight319.37 g/mol
Exact Mass319.19
IUPAC Nameethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC.CC(C)C(=O)N1CCC(n2cnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H18F3N3O.C2H6/c1-9(2)12(20)18-5-3-10(4-6-18)19-7-11(17-8-19)13(14,15)16;1-2/h7-10H,3-6H2,1-2H3;1-2H3
InChIKeyRWPRZLGLCSHANF-UHFFFAOYSA-N
XLogP3.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
CID 72124250
4-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)-N,N-dimethylpiperidine-1-carboxamide
CID 110198117
2-Methyl-1-(3-{[5-methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}pyrrolidin-1-YL)propan-1-one
CID 110198077
1-(3-{[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}pyrrolidin-1-YL)propan-1-one
CID 110198078
1-(3-{[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]methyl}pyrrolidin-1-YL)ethan-1-one
CID 110198079
1-[3-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)piperidin-1-YL]-3-methylbutan-1-one
CID 110198085
1-Cyclopropanecarbonyl-3-(2-cyclopropyl-5-methyl-1H-imidazol-1-YL)piperidine
CID 110198086
1-Cyclobutanecarbonyl-3-(2-cyclopropyl-5-methyl-1H-imidazol-1-YL)piperidine
CID 110198087
1-[3-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)piperidin-1-YL]-2-methylpropan-1-one
CID 110198089
1-Cyclopropanecarbonyl-4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-YL)methyl]piperidine
CID 110198099
1-{4-[(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)methyl]piperidin-1-YL}-2-methylpropan-1-one
CID 110198100
1-{4-[(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)methyl]piperidin-1-YL}propan-1-one
CID 110198101

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one (CID 145287434) is ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one is CC.CC(C)C(=O)N1CCC(n2cnc(C(F)(F)F)c2)CC1.
What is the InChIKey of ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is RWPRZLGLCSHANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O.C2H6/c1-9(2)12(20)18-5-3-10(4-6-18)19-7-11(17-8-19)13(14,15)16;1-2/h7-10H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 319.37 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 145287434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).