4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one

C15H19F4N3O2 — CID 71984219

IUPAC4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C15H19F4N3O2/c1-9-7-10(2)20-12(23)11(9)13(24)22-5-3-21(4-6-22)8-15(18,19)14(16)17/h7,14H,3-6,8H2,1-2H3,(H,20,23)
InChIKeyLFKNTGDMTJKHHO-UHFFFAOYSA-N
MW349.33 g/mol
LogP1.65
Rot. Bonds4

About 4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one

4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 71984219) has the molecular formula C15H19F4N3O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is 4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID71984219
Molecular FormulaC15H19F4N3O2
Molecular Weight349.33 g/mol
Exact Mass349.14
IUPAC Name4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c(=O)[nH]1
InChIInChI=1S/C15H19F4N3O2/c1-9-7-10(2)20-12(23)11(9)13(24)22-5-3-21(4-6-22)8-15(18,19)14(16)17/h7,14H,3-6,8H2,1-2H3,(H,20,23)
InChIKeyLFKNTGDMTJKHHO-UHFFFAOYSA-N
XLogP1.65
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one (CID 71984219) is 4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one is Cc1cc(C)c(C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is LFKNTGDMTJKHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N3O2/c1-9-7-10(2)20-12(23)11(9)13(24)22-5-3-21(4-6-22)8-15(18,19)14(16)17/h7,14H,3-6,8H2,1-2H3,(H,20,23).
What are the key properties of 4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 349.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[4-(2,2,3,3-tetrafluoropropyl)piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 71984219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).