[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone

C15H16F3N3O2 — CID 122196570

IUPAC[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1cccn2c(C(=O)N3CCCCC3)c(C(F)(F)F)nc12
InChIInChI=1S/C15H16F3N3O2/c1-23-10-6-5-9-21-11(12(15(16,17)18)19-13(10)21)14(22)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3
InChIKeyJNYKHFJDJZGZOI-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.99
Rot. Bonds2

About [8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone

[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone (PubChem CID 122196570) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is [8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone
PubChem CID122196570
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1cccn2c(C(=O)N3CCCCC3)c(C(F)(F)F)nc12
InChIInChI=1S/C15H16F3N3O2/c1-23-10-6-5-9-21-11(12(15(16,17)18)19-13(10)21)14(22)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3
InChIKeyJNYKHFJDJZGZOI-UHFFFAOYSA-N
XLogP2.99
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone (CID 122196570) is [8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone is COc1cccn2c(C(=O)N3CCCCC3)c(C(F)(F)F)nc12.
What is the InChIKey of [8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is JNYKHFJDJZGZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-23-10-6-5-9-21-11(12(15(16,17)18)19-13(10)21)14(22)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of [8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone?
[8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 327.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 122196570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).