2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one

C15H20F3N3O — CID 2741559

IUPAC2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O/c1-14(2,3)13(22)21-9-7-20(8-10-21)12-11(15(16,17)18)5-4-6-19-12/h4-6H,7-10H2,1-3H3
InChIKeyRPUROLJDHBACJK-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.80
Rot. Bonds1

About 2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one (PubChem CID 2741559) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
PubChem CID2741559
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O/c1-14(2,3)13(22)21-9-7-20(8-10-21)12-11(15(16,17)18)5-4-6-19-12/h4-6H,7-10H2,1-3H3
InChIKeyRPUROLJDHBACJK-UHFFFAOYSA-N
XLogP2.80
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one (CID 2741559) is 2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one?
The InChIKey is RPUROLJDHBACJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c1-14(2,3)13(22)21-9-7-20(8-10-21)12-11(15(16,17)18)5-4-6-19-12/h4-6H,7-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one has a molecular weight of 315.34 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 2741559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).