2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H14F3N3O — CID 79874356

IUPAC2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(=O)C1CCCCN1c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C14H14F3N3O/c1-9(21)11-4-2-3-7-20(11)13-10(8-18)5-6-12(19-13)14(15,16)17/h5-6,11H,2-4,7H2,1H3
InChIKeyKMMRGMSXGFQXJO-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.92
Rot. Bonds2

About 2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79874356) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79874356
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(=O)C1CCCCN1c1nc(C(F)(F)F)ccc1C#N
InChIInChI=1S/C14H14F3N3O/c1-9(21)11-4-2-3-7-20(11)13-10(8-18)5-6-12(19-13)14(15,16)17/h5-6,11H,2-4,7H2,1H3
InChIKeyKMMRGMSXGFQXJO-UHFFFAOYSA-N
XLogP2.92
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79874356) is 2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is CC(=O)C1CCCCN1c1nc(C(F)(F)F)ccc1C#N.
What is the InChIKey of 2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is KMMRGMSXGFQXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-9(21)11-4-2-3-7-20(11)13-10(8-18)5-6-12(19-13)14(15,16)17/h5-6,11H,2-4,7H2,1H3.
What are the key properties of 2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 297.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79874356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).