2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone

C15H24F2N4O — CID 60500559

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CN(C)Cc2nccn2C(F)F)C1
InChIInChI=1S/C15H24F2N4O/c1-11-6-12(2)8-20(7-11)14(22)10-19(3)9-13-18-4-5-21(13)15(16)17/h4-5,11-12,15H,6-10H2,1-3H3
InChIKeyCLZXXECOVDWGIL-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.21
Rot. Bonds5

About 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 60500559) has the molecular formula C15H24F2N4O and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID60500559
Molecular FormulaC15H24F2N4O
Molecular Weight314.38 g/mol
Exact Mass314.19
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CN(C)Cc2nccn2C(F)F)C1
InChIInChI=1S/C15H24F2N4O/c1-11-6-12(2)8-20(7-11)14(22)10-19(3)9-13-18-4-5-21(13)15(16)17/h4-5,11-12,15H,6-10H2,1-3H3
InChIKeyCLZXXECOVDWGIL-UHFFFAOYSA-N
XLogP2.21
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrrolidin-1-yl-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methanone
CID 53553936
1-(Azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53554684
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 53561071
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53566717
1-(3-Imidazol-1-ylpiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 53617604
1-(2-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 56724045
N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide
CID 56787451
N,N-dimethyl-1-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]methanamine
CID 56788085
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
4-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-[1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]piperidine
CID 70765708
2-[Cyclopropyl(methyl)amino]-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 72141972
N,N-dimethyl-2-{2-[1-(4,4,4-trifluorobutanoyl)-4-piperidinyl]-1H-imidazol-1-yl}ethanamine
CID 72853722

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 60500559) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone is CC1CC(C)CN(C(=O)CN(C)Cc2nccn2C(F)F)C1.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is CLZXXECOVDWGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N4O/c1-11-6-12(2)8-20(7-11)14(22)10-19(3)9-13-18-4-5-21(13)15(16)17/h4-5,11-12,15H,6-10H2,1-3H3.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 314.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 60500559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).