(6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione

C16H21FN2O2 — CID 53299350

IUPAC(6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
SMILESCCCC[C@@H]1CNC(=O)C(=O)N1CCc1cccc(F)c1
InChIInChI=1S/C16H21FN2O2/c1-2-3-7-14-11-18-15(20)16(21)19(14)9-8-12-5-4-6-13(17)10-12/h4-6,10,14H,2-3,7-9,11H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyMTYGFCVXHACTGZ-CQSZACIVSA-N
MW292.35 g/mol
LogP1.89
Rot. Bonds6

About (6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione

(6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione (PubChem CID 53299350) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione.

Molecular Properties

Compound Name(6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
PubChem CID53299350
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
SMILESCCCC[C@@H]1CNC(=O)C(=O)N1CCc1cccc(F)c1
InChIInChI=1S/C16H21FN2O2/c1-2-3-7-14-11-18-15(20)16(21)19(14)9-8-12-5-4-6-13(17)10-12/h4-6,10,14H,2-3,7-9,11H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyMTYGFCVXHACTGZ-CQSZACIVSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione?
The IUPAC name of (6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione (CID 53299350) is (6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione.
What is the SMILES notation for (6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione?
The canonical SMILES for (6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione is CCCC[C@@H]1CNC(=O)C(=O)N1CCc1cccc(F)c1.
What is the InChIKey of (6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione?
The InChIKey is MTYGFCVXHACTGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-2-3-7-14-11-18-15(20)16(21)19(14)9-8-12-5-4-6-13(17)10-12/h4-6,10,14H,2-3,7-9,11H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of (6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione?
(6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione has a molecular weight of 292.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-butyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione is sourced from PubChem (CID 53299350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).