(4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone

C17H20F3N3O2 — CID 138058252

IUPAC(4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone
SMILESCCOC1(C)CCN(C(=O)c2cccn3cc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C17H20F3N3O2/c1-3-25-16(2)6-9-22(10-7-16)15(24)12-5-4-8-23-11-13(17(18,19)20)21-14(12)23/h4-5,8,11H,3,6-7,9-10H2,1-2H3
InChIKeyOJSSNGWJKHEHDN-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.38
Rot. Bonds3

About (4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone

(4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone (PubChem CID 138058252) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is (4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone.

Molecular Properties

Compound Name(4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone
PubChem CID138058252
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name(4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone
SMILESCCOC1(C)CCN(C(=O)c2cccn3cc(C(F)(F)F)nc23)CC1
InChIInChI=1S/C17H20F3N3O2/c1-3-25-16(2)6-9-22(10-7-16)15(24)12-5-4-8-23-11-13(17(18,19)20)21-14(12)23/h4-5,8,11H,3,6-7,9-10H2,1-2H3
InChIKeyOJSSNGWJKHEHDN-UHFFFAOYSA-N
XLogP3.38
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone?
The IUPAC name of (4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone (CID 138058252) is (4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone.
What is the SMILES notation for (4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone?
The canonical SMILES for (4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone is CCOC1(C)CCN(C(=O)c2cccn3cc(C(F)(F)F)nc23)CC1.
What is the InChIKey of (4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone?
The InChIKey is OJSSNGWJKHEHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-3-25-16(2)6-9-22(10-7-16)15(24)12-5-4-8-23-11-13(17(18,19)20)21-14(12)23/h4-5,8,11H,3,6-7,9-10H2,1-2H3.
What are the key properties of (4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone?
(4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone has a molecular weight of 355.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-4-methylpiperidin-1-yl)-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]methanone is sourced from PubChem (CID 138058252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).