4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione

C18H20F3N3O3 — CID 167463319

IUPAC4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione
SMILESCC(=O)N1CCN(c2ccc(C3CC(=O)NC(=O)C3)cc2C(F)(F)F)CC1
InChIInChI=1S/C18H20F3N3O3/c1-11(25)23-4-6-24(7-5-23)15-3-2-12(8-14(15)18(19,20)21)13-9-16(26)22-17(27)10-13/h2-3,8,13H,4-7,9-10H2,1H3,(H,22,26,27)
InChIKeyFESFEZOKYKVNRJ-UHFFFAOYSA-N
MW383.37 g/mol
LogP1.89
Rot. Bonds2

About 4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione

4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione (PubChem CID 167463319) has the molecular formula C18H20F3N3O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is 4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione
PubChem CID167463319
Molecular FormulaC18H20F3N3O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC Name4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione
SMILESCC(=O)N1CCN(c2ccc(C3CC(=O)NC(=O)C3)cc2C(F)(F)F)CC1
InChIInChI=1S/C18H20F3N3O3/c1-11(25)23-4-6-24(7-5-23)15-3-2-12(8-14(15)18(19,20)21)13-9-16(26)22-17(27)10-13/h2-3,8,13H,4-7,9-10H2,1H3,(H,22,26,27)
InChIKeyFESFEZOKYKVNRJ-UHFFFAOYSA-N
XLogP1.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The IUPAC name of 4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione (CID 167463319) is 4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The canonical SMILES for 4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione is CC(=O)N1CCN(c2ccc(C3CC(=O)NC(=O)C3)cc2C(F)(F)F)CC1.
What is the InChIKey of 4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione?
The InChIKey is FESFEZOKYKVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O3/c1-11(25)23-4-6-24(7-5-23)15-3-2-12(8-14(15)18(19,20)21)13-9-16(26)22-17(27)10-13/h2-3,8,13H,4-7,9-10H2,1H3,(H,22,26,27).
What are the key properties of 4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione?
4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione has a molecular weight of 383.37 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 167463319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).