2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

C15H23F3N4O — CID 71990140

IUPAC2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C15H23F3N4O/c1-3-21(4-2)10-13(23)22-7-5-11(6-8-22)14-19-9-12(20-14)15(16,17)18/h9,11H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyARNMGGQBIMQXKS-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.48
Rot. Bonds5

About 2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone

2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 71990140) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID71990140
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCCN(CC)CC(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C15H23F3N4O/c1-3-21(4-2)10-13(23)22-7-5-11(6-8-22)14-19-9-12(20-14)15(16,17)18/h9,11H,3-8,10H2,1-2H3,(H,19,20)
InChIKeyARNMGGQBIMQXKS-UHFFFAOYSA-N
XLogP2.48
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone (CID 71990140) is 2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is CCN(CC)CC(=O)N1CCC(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of 2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is ARNMGGQBIMQXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-3-21(4-2)10-13(23)22-7-5-11(6-8-22)14-19-9-12(20-14)15(16,17)18/h9,11H,3-8,10H2,1-2H3,(H,19,20).
What are the key properties of 2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone?
2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 332.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71990140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).