3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one

C15H17F3N2O2 — CID 51099278

IUPAC3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1ccccc1C(=O)N1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C15H17F3N2O2/c1-11-4-2-3-5-12(11)14(22)20-8-6-19(7-9-20)13(21)10-15(16,17)18/h2-5H,6-10H2,1H3
InChIKeyRWAHIXMDWUZAIT-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.23
Rot. Bonds2

About 3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one

3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 51099278) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one
PubChem CID51099278
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one
SMILESCc1ccccc1C(=O)N1CCN(C(=O)CC(F)(F)F)CC1
InChIInChI=1S/C15H17F3N2O2/c1-11-4-2-3-5-12(11)14(22)20-8-6-19(7-9-20)13(21)10-15(16,17)18/h2-5H,6-10H2,1H3
InChIKeyRWAHIXMDWUZAIT-UHFFFAOYSA-N
XLogP2.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-1-[4-(2-methylbenzoyl)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 3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one (CID 51099278) is 3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one is Cc1ccccc1C(=O)N1CCN(C(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is RWAHIXMDWUZAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-11-4-2-3-5-12(11)14(22)20-8-6-19(7-9-20)13(21)10-15(16,17)18/h2-5H,6-10H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 314.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[4-(2-methylbenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 51099278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).