5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one

C12H15F3N2O2 — CID 115772149

IUPAC5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CC=C(C(F)(F)F)CC2)CN1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-3-5-17(6-4-9)11(19)8-1-2-10(18)16-7-8/h3,8H,1-2,4-7H2,(H,16,18)
InChIKeyIYGVTEWGYXTYIV-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.23
Rot. Bonds1

About 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one

5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one (PubChem CID 115772149) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one
PubChem CID115772149
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CC=C(C(F)(F)F)CC2)CN1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)9-3-5-17(6-4-9)11(19)8-1-2-10(18)16-7-8/h3,8H,1-2,4-7H2,(H,16,18)
InChIKeyIYGVTEWGYXTYIV-UHFFFAOYSA-N
XLogP1.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one?
The IUPAC name of 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one (CID 115772149) is 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one is O=C1CCC(C(=O)N2CC=C(C(F)(F)F)CC2)CN1.
What is the InChIKey of 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one?
The InChIKey is IYGVTEWGYXTYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)9-3-5-17(6-4-9)11(19)8-1-2-10(18)16-7-8/h3,8H,1-2,4-7H2,(H,16,18).
What are the key properties of 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one?
5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one has a molecular weight of 276.26 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 115772149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).