N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide

C20H20F3N3O2 — CID 44578172

IUPACN-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
SMILESCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C20H20F3N3O2/c1-24-18(27)14-6-8-15(9-7-14)25-10-12-26(13-11-25)19(28)16-4-2-3-5-17(16)20(21,22)23/h2-9H,10-13H2,1H3,(H,24,27)
InChIKeyHLVKEFVFAFCJPE-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.03
Rot. Bonds3

About N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide

N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide (PubChem CID 44578172) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
PubChem CID44578172
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC NameN-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
SMILESCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C20H20F3N3O2/c1-24-18(27)14-6-8-15(9-7-14)25-10-12-26(13-11-25)19(28)16-4-2-3-5-17(16)20(21,22)23/h2-9H,10-13H2,1H3,(H,24,27)
InChIKeyHLVKEFVFAFCJPE-UHFFFAOYSA-N
XLogP3.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide?
The IUPAC name of N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide (CID 44578172) is N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide.
What is the SMILES notation for N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide?
The canonical SMILES for N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide is CNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide?
The InChIKey is HLVKEFVFAFCJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-24-18(27)14-6-8-15(9-7-14)25-10-12-26(13-11-25)19(28)16-4-2-3-5-17(16)20(21,22)23/h2-9H,10-13H2,1H3,(H,24,27).
What are the key properties of N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide?
N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide has a molecular weight of 391.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 44578172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).