1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione

C19H24F3N3O2 — CID 42618268

IUPAC1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)15-4-3-5-16(14-15)24-12-10-23(11-13-24)8-1-2-9-25-17(26)6-7-18(25)27/h3-5,14H,1-2,6-13H2
InChIKeyPEQJTCZGJSKPGE-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.76
Rot. Bonds6

About 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione

1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione (PubChem CID 42618268) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione
PubChem CID42618268
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H24F3N3O2/c20-19(21,22)15-4-3-5-16(14-15)24-12-10-23(11-13-24)8-1-2-9-25-17(26)6-7-18(25)27/h3-5,14H,1-2,6-13H2
InChIKeyPEQJTCZGJSKPGE-UHFFFAOYSA-N
XLogP2.76
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.76
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

1-[3-[4-(4-Fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 9904604
1-(m-Trifluorophenyl)piperazine, 10
CID 42618271
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
1-[2-oxo-2-(2,2,4-trimethyl-1(2H)-quinolinyl)ethyl]-2,5-pyrrolidinedione
CID 713603
1-[2-(3,4-Dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-pyrrolidine-2,5-dione
CID 775593
1-(3-Methylphenyl)-3-morpholin-4-ylazolidine-2,5-dione
CID 2827709
N-(3-Trifluoromethylphenyl)succinimide
CID 203867
5-{[4-(4-Fluorophenyl)piperazin-1-yl]carbonyl}-1-(4-methylbenzyl)pyrrolidin-2-one
CID 3240795
1-(m-Trifluorophenyl)piperazine, 4
CID 11292754

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione (CID 42618268) is 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione?
The InChIKey is PEQJTCZGJSKPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c20-19(21,22)15-4-3-5-16(14-15)24-12-10-23(11-13-24)8-1-2-9-25-17(26)6-7-18(25)27/h3-5,14H,1-2,6-13H2.
What are the key properties of 1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione?
1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyrrolidine-2,5-dione has a molecular weight of 383.41 g/mol, XLogP of 2.76, 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]pyrrolidine-2,5-dione is sourced from PubChem (CID 42618268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).