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

C20H26F3N3O2 — CID 42618269

IUPAC1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H26F3N3O2/c21-20(22,23)16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-1-2-10-26-18(27)7-4-8-19(26)28/h3,5-6,15H,1-2,4,7-14H2
InChIKeyRGMHIFQLKSXUQM-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.15
Rot. Bonds6

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

1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione (PubChem CID 42618269) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione
PubChem CID42618269
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H26F3N3O2/c21-20(22,23)16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-1-2-10-26-18(27)7-4-8-19(26)28/h3,5-6,15H,1-2,4,7-14H2
InChIKeyRGMHIFQLKSXUQM-UHFFFAOYSA-N
XLogP3.15
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione?
The IUPAC name of 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione (CID 42618269) is 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione?
The canonical SMILES for 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione is O=C1CCCC(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione?
The InChIKey is RGMHIFQLKSXUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c21-20(22,23)16-5-3-6-17(15-16)25-13-11-24(12-14-25)9-1-2-10-26-18(27)7-4-8-19(26)28/h3,5-6,15H,1-2,4,7-14H2.
What are the key properties of 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione?
1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]piperidine-2,6-dione has a molecular weight of 397.44 g/mol, XLogP of 3.15, 6 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]butyl]piperidine-2,6-dione is sourced from PubChem (CID 42618269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).