(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone

C22H19F3N4O2 — CID 15951399

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2cccc(OC(F)(F)F)c2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)31-19-4-1-3-18(15-19)16-5-7-17(8-6-16)20(30)28-11-13-29(14-12-28)21-26-9-2-10-27-21/h1-10,15H,11-14H2
InChIKeyVEBHUNRIWMOSAA-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.00
Rot. Bonds4

About (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone

(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone (PubChem CID 15951399) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone
PubChem CID15951399
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2cccc(OC(F)(F)F)c2)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H19F3N4O2/c23-22(24,25)31-19-4-1-3-18(15-19)16-5-7-17(8-6-16)20(30)28-11-13-29(14-12-28)21-26-9-2-10-27-21/h1-10,15H,11-14H2
InChIKeyVEBHUNRIWMOSAA-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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Related Compounds

Eleclazine
CID 71183216
p-(18F)MPPF
CID 5352127
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
(4-Butoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2094435
(4-Methoxyphenyl)-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 2811138
3-Methoxyphenyl 4-pyrimidin-2-ylpiperazinyl ketone
CID 3238602
[4-(4-Methoxyphenyl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950864
3-Chloro-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18327916
3-Methyl-4-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18328103
4-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 18328121

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone (CID 15951399) is (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone is O=C(c1ccc(-c2cccc(OC(F)(F)F)c2)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone?
The InChIKey is VEBHUNRIWMOSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c23-22(24,25)31-19-4-1-3-18(15-19)16-5-7-17(8-6-16)20(30)28-11-13-29(14-12-28)21-26-9-2-10-27-21/h1-10,15H,11-14H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]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-pyrimidin-2-ylpiperazin-1-yl)-[4-[3-(trifluoromethoxy)phenyl]phenyl]methanone is sourced from PubChem (CID 15951399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).