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

C22H30F3N3O2 — CID 23661734

IUPAC4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)C1
InChIInChI=1S/C22H30F3N3O2/c1-21(2)15-19(29)28(20(30)16-21)9-4-3-8-26-10-12-27(13-11-26)18-7-5-6-17(14-18)22(23,24)25/h5-7,14H,3-4,8-13,15-16H2,1-2H3
InChIKeyUDSHNEUEZSPXAV-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.78
Rot. Bonds6

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

4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione (PubChem CID 23661734) has the molecular formula C22H30F3N3O2 and a molecular weight of 425.50 g/mol. Its IUPAC name is 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione
PubChem CID23661734
Molecular FormulaC22H30F3N3O2
Molecular Weight425.50 g/mol
Exact Mass425.23
IUPAC Name4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)C1
InChIInChI=1S/C22H30F3N3O2/c1-21(2)15-19(29)28(20(30)16-21)9-4-3-8-26-10-12-27(13-11-26)18-7-5-6-17(14-18)22(23,24)25/h5-7,14H,3-4,8-13,15-16H2,1-2H3
InChIKeyUDSHNEUEZSPXAV-UHFFFAOYSA-N
XLogP3.78
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(2-(4-(2,4,5-Trifluorophenyl)piperazin-1-yl)ethyl)-8-azaspiro(4.5)decane-7,9-dione
CID 9931327
8-[(2R)-1-[4-(2,4,5-trifluorophenyl)piperazin-1-yl]propan-2-yl]-8-azaspiro[4.5]decane-7,9-dione
CID 9845181
1-(m-Trifluorophenyl)piperazine, 7
CID 42618269
1-(m-Trifluorophenyl)piperazine, 9
CID 42618270
1-(m-Trifluorophenyl)piperazine, 13
CID 42618274
1-(m-Trifluorophenyl)piperazine, 14
CID 42618275
8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 9864325
8-{2-[4-(2,5-Difluorophenyl)piperazin-1-yl]ethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 9908478
1-(m-Trifluorophenyl)piperazine, 4
CID 11292754
1-(m-Trifluorophenyl)piperazine, 6
CID 11453751
1-(m-Trifluorophenyl)piperazine, 8
CID 23661735
1-(m-Trifluorophenyl)piperazine, 3
CID 42618268

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione (CID 23661734) is 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione is CC1(C)CC(=O)N(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)C1.
What is the InChIKey of 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione?
The InChIKey is UDSHNEUEZSPXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N3O2/c1-21(2)15-19(29)28(20(30)16-21)9-4-3-8-26-10-12-27(13-11-26)18-7-5-6-17(14-18)22(23,24)25/h5-7,14H,3-4,8-13,15-16H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione?
4,4-dimethyl-1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione has a molecular weight of 425.50 g/mol, XLogP of 3.78, 6 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]butyl]piperidine-2,6-dione is sourced from PubChem (CID 23661734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).