[4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C22H19F3N4O2 — CID 68801751

IUPAC[4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1OC(F)(F)F)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)31-19-15-17(16-5-2-1-3-6-16)7-8-18(19)20(30)28-11-13-29(14-12-28)21-26-9-4-10-27-21/h1-10,15H,11-14H2
InChIKeyLMNLMJQFOCIBMH-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.00
Rot. Bonds4

About [4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 68801751) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is [4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID68801751
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name[4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1OC(F)(F)F)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)31-19-15-17(16-5-2-1-3-6-16)7-8-18(19)20(30)28-11-13-29(14-12-28)21-26-9-4-10-27-21/h1-10,15H,11-14H2
InChIKeyLMNLMJQFOCIBMH-UHFFFAOYSA-N
XLogP4.00
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 68801751) is [4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccccc2)cc1OC(F)(F)F)N1CCN(c2ncccn2)CC1.
What is the InChIKey of [4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is LMNLMJQFOCIBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c23-22(24,25)31-19-15-17(16-5-2-1-3-6-16)7-8-18(19)20(30)28-11-13-29(14-12-28)21-26-9-4-10-27-21/h1-10,15H,11-14H2.
What are the key properties of [4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 428.41 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-2-(trifluoromethoxy)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 68801751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).