1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one

C12H16F3N3O — CID 171853135

IUPAC1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C12H16F3N3O/c1-2-10(19)18-5-3-4-8(7-18)11-16-6-9(17-11)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,17)
InChIKeyJYSAIYXJFAQXPD-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.54
Rot. Bonds2

About 1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one

1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 171853135) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID171853135
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1
InChIInChI=1S/C12H16F3N3O/c1-2-10(19)18-5-3-4-8(7-18)11-16-6-9(17-11)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,17)
InChIKeyJYSAIYXJFAQXPD-UHFFFAOYSA-N
XLogP2.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one (CID 171853135) is 1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(c2ncc(C(F)(F)F)[nH]2)C1.
What is the InChIKey of 1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is JYSAIYXJFAQXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-10(19)18-5-3-4-8(7-18)11-16-6-9(17-11)12(13,14)15/h6,8H,2-5,7H2,1H3,(H,16,17).
What are the key properties of 1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one?
1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 275.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 171853135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).