2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one

C14H20F3N3O — CID 126750303

IUPAC2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(n2cnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H20F3N3O/c1-13(2,3)12(21)19-6-4-10(5-7-19)20-8-11(18-9-20)14(15,16)17/h8-10H,4-7H2,1-3H3
InChIKeyKVECAVPXCWEIJV-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.11
Rot. Bonds1

About 2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 126750303) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one
PubChem CID126750303
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCC(n2cnc(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H20F3N3O/c1-13(2,3)12(21)19-6-4-10(5-7-19)20-8-11(18-9-20)14(15,16)17/h8-10H,4-7H2,1-3H3
InChIKeyKVECAVPXCWEIJV-UHFFFAOYSA-N
XLogP3.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one (CID 126750303) is 2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCC(n2cnc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is KVECAVPXCWEIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-13(2,3)12(21)19-6-4-10(5-7-19)20-8-11(18-9-20)14(15,16)17/h8-10H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 303.33 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[4-(trifluoromethyl)imidazol-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126750303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).