3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one

C15H21F3N4O2 — CID 56826569

IUPAC3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)OCCC(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H21F3N4O2/c1-11(2)24-10-4-13(23)21-6-8-22(9-7-21)14-19-5-3-12(20-14)15(16,17)18/h3,5,11H,4,6-10H2,1-2H3
InChIKeyZFCLZBGNGRQJNZ-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.96
Rot. Bonds5

About 3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one

3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one (PubChem CID 56826569) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
PubChem CID56826569
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
SMILESCC(C)OCCC(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C15H21F3N4O2/c1-11(2)24-10-4-13(23)21-6-8-22(9-7-21)14-19-5-3-12(20-14)15(16,17)18/h3,5,11H,4,6-10H2,1-2H3
InChIKeyZFCLZBGNGRQJNZ-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]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-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one (CID 56826569) is 3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one is CC(C)OCCC(=O)N1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
The InChIKey is ZFCLZBGNGRQJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-11(2)24-10-4-13(23)21-6-8-22(9-7-21)14-19-5-3-12(20-14)15(16,17)18/h3,5,11H,4,6-10H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one?
3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one has a molecular weight of 346.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56826569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).