[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

C17H25F3N6O — CID 67158092

IUPAC[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCC(C)N1CCN[C@@H](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C17H25F3N6O/c1-12(2)26-6-5-21-13(11-26)15(27)24-7-9-25(10-8-24)16-22-4-3-14(23-16)17(18,19)20/h3-4,12-13,21H,5-11H2,1-2H3/t13-/m1/s1
InChIKeyWSTHQZIHBSMTKH-CYBMUJFWSA-N
MW386.42 g/mol
LogP0.83
Rot. Bonds3

About [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 67158092) has the molecular formula C17H25F3N6O and a molecular weight of 386.42 g/mol. Its IUPAC name is [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID67158092
Molecular FormulaC17H25F3N6O
Molecular Weight386.42 g/mol
Exact Mass386.20
IUPAC Name[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCC(C)N1CCN[C@@H](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C17H25F3N6O/c1-12(2)26-6-5-21-13(11-26)15(27)24-7-9-25(10-8-24)16-22-4-3-14(23-16)17(18,19)20/h3-4,12-13,21H,5-11H2,1-2H3/t13-/m1/s1
InChIKeyWSTHQZIHBSMTKH-CYBMUJFWSA-N
XLogP0.83
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone 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 [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 67158092) is [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is CC(C)N1CCN[C@@H](C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)C1.
What is the InChIKey of [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is WSTHQZIHBSMTKH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25F3N6O/c1-12(2)26-6-5-21-13(11-26)15(27)24-7-9-25(10-8-24)16-22-4-3-14(23-16)17(18,19)20/h3-4,12-13,21H,5-11H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
[(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 386.42 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-propan-2-ylpiperazin-2-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 67158092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).