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

C15H20F3N3O2 — CID 154793487

IUPAC4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H20F3N3O2/c1-10-6-11(7-12(22)19-10)13(23)21-5-4-20(8-14(21,2)3)9-15(16,17)18/h6-7H,4-5,8-9H2,1-3H3,(H,19,22)
InChIKeyVZHMBAQYMZKMQL-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.78
Rot. Bonds2

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

4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 154793487) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID154793487
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)cc(=O)[nH]1
InChIInChI=1S/C15H20F3N3O2/c1-10-6-11(7-12(22)19-10)13(23)21-5-4-20(8-14(21,2)3)9-15(16,17)18/h6-7H,4-5,8-9H2,1-3H3,(H,19,22)
InChIKeyVZHMBAQYMZKMQL-UHFFFAOYSA-N
XLogP1.78
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 154793487) is 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1cc(C(=O)N2CCN(CC(F)(F)F)CC2(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is VZHMBAQYMZKMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10-6-11(7-12(22)19-10)13(23)21-5-4-20(8-14(21,2)3)9-15(16,17)18/h6-7H,4-5,8-9H2,1-3H3,(H,19,22).
What are the key properties of 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 331.34 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 154793487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).