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

C22H19F3N4O — CID 15950936

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H19F3N4O/c23-22(24,25)19-5-2-1-4-18(19)16-6-8-17(9-7-16)20(30)28-12-14-29(15-13-28)21-26-10-3-11-27-21/h1-11H,12-15H2
InChIKeyDNFIKGVLGPRNPN-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.12
Rot. Bonds3

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

(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone (PubChem CID 15950936) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone
PubChem CID15950936
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H19F3N4O/c23-22(24,25)19-5-2-1-4-18(19)16-6-8-17(9-7-16)20(30)28-12-14-29(15-13-28)21-26-10-3-11-27-21/h1-11H,12-15H2
InChIKeyDNFIKGVLGPRNPN-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

Analyze (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]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 (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone (CID 15950936) is (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone is O=C(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone?
The InChIKey is DNFIKGVLGPRNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c23-22(24,25)19-5-2-1-4-18(19)16-6-8-17(9-7-16)20(30)28-12-14-29(15-13-28)21-26-10-3-11-27-21/h1-11H,12-15H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]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-pyrimidin-2-ylpiperazin-1-yl)-[4-[2-(trifluoromethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 15950936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).