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

C24H32F3N3O2 — CID 11453751

IUPAC4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(C2CCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)C(=O)C1
InChIInChI=1S/C24H32F3N3O2/c1-23(2)15-21(31)30(22(32)16-23)19-8-6-18(7-9-19)28-10-12-29(13-11-28)20-5-3-4-17(14-20)24(25,26)27/h3-5,14,18-19H,6-13,15-16H2,1-2H3
InChIKeySWCGWBOIEXHVNM-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.31
Rot. Bonds3

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

4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione (PubChem CID 11453751) has the molecular formula C24H32F3N3O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione
PubChem CID11453751
Molecular FormulaC24H32F3N3O2
Molecular Weight451.53 g/mol
Exact Mass451.24
IUPAC Name4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(C2CCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)C(=O)C1
InChIInChI=1S/C24H32F3N3O2/c1-23(2)15-21(31)30(22(32)16-23)19-8-6-18(7-9-19)28-10-12-29(13-11-28)20-5-3-4-17(14-20)24(25,26)27/h3-5,14,18-19H,6-13,15-16H2,1-2H3
InChIKeySWCGWBOIEXHVNM-UHFFFAOYSA-N
XLogP4.31
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.31
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 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione (CID 11453751) is 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione is CC1(C)CC(=O)N(C2CCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)C(=O)C1.
What is the InChIKey of 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione?
The InChIKey is SWCGWBOIEXHVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N3O2/c1-23(2)15-21(31)30(22(32)16-23)19-8-6-18(7-9-19)28-10-12-29(13-11-28)20-5-3-4-17(14-20)24(25,26)27/h3-5,14,18-19H,6-13,15-16H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione?
4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione has a molecular weight of 451.53 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]piperidine-2,6-dione is sourced from PubChem (CID 11453751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).