1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one

C15H23F3N4O — CID 71766838

IUPAC1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
SMILESCN(C)C1CCN(C(=O)CCc2nccn2CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O/c1-20(2)12-5-8-21(9-6-12)14(23)4-3-13-19-7-10-22(13)11-15(16,17)18/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeyABRYIICAWPZNKQ-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.93
Rot. Bonds5

About 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one

1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one (PubChem CID 71766838) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
PubChem CID71766838
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
SMILESCN(C)C1CCN(C(=O)CCc2nccn2CC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O/c1-20(2)12-5-8-21(9-6-12)14(23)4-3-13-19-7-10-22(13)11-15(16,17)18/h7,10,12H,3-6,8-9,11H2,1-2H3
InChIKeyABRYIICAWPZNKQ-UHFFFAOYSA-N
XLogP1.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one (CID 71766838) is 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one is CN(C)C1CCN(C(=O)CCc2nccn2CC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one?
The InChIKey is ABRYIICAWPZNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-20(2)12-5-8-21(9-6-12)14(23)4-3-13-19-7-10-22(13)11-15(16,17)18/h7,10,12H,3-6,8-9,11H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one?
1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one has a molecular weight of 332.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one is sourced from PubChem (CID 71766838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).