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

C22H28F3N3O2 — CID 23661735

IUPAC1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C22H28F3N3O2/c23-22(24,25)16-3-1-4-19(15-16)27-13-11-26(12-14-27)17-7-9-18(10-8-17)28-20(29)5-2-6-21(28)30/h1,3-4,15,17-18H,2,5-14H2
InChIKeyQPDOXFZMEXGLGN-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.68
Rot. Bonds3

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

1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione (PubChem CID 23661735) has the molecular formula C22H28F3N3O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione
PubChem CID23661735
Molecular FormulaC22H28F3N3O2
Molecular Weight423.48 g/mol
Exact Mass423.21
IUPAC Name1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C22H28F3N3O2/c23-22(24,25)16-3-1-4-19(15-16)27-13-11-26(12-14-27)17-7-9-18(10-8-17)28-20(29)5-2-6-21(28)30/h1,3-4,15,17-18H,2,5-14H2
InChIKeyQPDOXFZMEXGLGN-UHFFFAOYSA-N
XLogP3.68
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
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 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione?
The IUPAC name of 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione (CID 23661735) is 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione?
The canonical SMILES for 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione is O=C1CCCC(=O)N1C1CCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione?
The InChIKey is QPDOXFZMEXGLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N3O2/c23-22(24,25)16-3-1-4-19(15-16)27-13-11-26(12-14-27)17-7-9-18(10-8-17)28-20(29)5-2-6-21(28)30/h1,3-4,15,17-18H,2,5-14H2.
What are the key properties of 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione?
1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione has a molecular weight of 423.48 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione is sourced from PubChem (CID 23661735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).