(4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

C22H19F3N4O — CID 15951185

IUPAC(4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C22H19F3N4O/c23-22(24,25)19-10-11-26-21(27-19)29-14-12-28(13-15-29)20(30)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-11H,12-15H2
InChIKeyLZCVKBKOGCUSLX-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.12
Rot. Bonds3

About (4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

(4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 15951185) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is (4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID15951185
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name(4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C22H19F3N4O/c23-22(24,25)19-10-11-26-21(27-19)29-14-12-28(13-15-29)20(30)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-11H,12-15H2
InChIKeyLZCVKBKOGCUSLX-UHFFFAOYSA-N
XLogP4.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 15951185) is (4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of (4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is LZCVKBKOGCUSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c23-22(24,25)19-10-11-26-21(27-19)29-14-12-28(13-15-29)20(30)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-11H,12-15H2.
What are the key properties of (4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
(4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 412.42 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 15951185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).