(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione

C17H23FN2O2 — CID 165425719

IUPAC(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
SMILESC[C@@H]1C(=O)N(CCc2ccccc2)CC(=O)N1CCCCF
InChIInChI=1S/C17H23FN2O2/c1-14-17(22)19(12-9-15-7-3-2-4-8-15)13-16(21)20(14)11-6-5-10-18/h2-4,7-8,14H,5-6,9-13H2,1H3/t14-/m1/s1
InChIKeyOGIWFHIGVBGXAJ-CQSZACIVSA-N
MW306.38 g/mol
LogP2.04
Rot. Bonds7

About (3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione

(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione (PubChem CID 165425719) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is (3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
PubChem CID165425719
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
SMILESC[C@@H]1C(=O)N(CCc2ccccc2)CC(=O)N1CCCCF
InChIInChI=1S/C17H23FN2O2/c1-14-17(22)19(12-9-15-7-3-2-4-8-15)13-16(21)20(14)11-6-5-10-18/h2-4,7-8,14H,5-6,9-13H2,1H3/t14-/m1/s1
InChIKeyOGIWFHIGVBGXAJ-CQSZACIVSA-N
XLogP2.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-methyl-1-(2-phenylethyl)-4-(3-phenylpropyl)piperazine-2,5-dione
CID 165419017
(3S)-4-[(2-fluoro-3-methylphenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165423143
(3S)-3-methyl-4-(4-methylpent-3-enyl)-1-(2-phenylethyl)piperazine-2,5-dione
CID 165428608
(3R)-4-[(2,6-difluorophenyl)methyl]-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 165418043
(3S)-1-[(2-chlorophenyl)methyl]-4-(5-fluoropentyl)-3-methylpiperazine-2,5-dione
CID 165421903
(3S)-4-(cyclohexylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione
CID 164689037
(3S)-3-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-phenylethyl)piperazine-2,5-dione
CID 165421262
(3R)-4-(1,4-dioxepan-6-ylmethyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione;formic acid
CID 166600136
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione
CID 164691531
(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
CID 165423639
(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165418850

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione?
The IUPAC name of (3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione (CID 165425719) is (3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione.
What is the SMILES notation for (3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione?
The canonical SMILES for (3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione is C[C@@H]1C(=O)N(CCc2ccccc2)CC(=O)N1CCCCF.
What is the InChIKey of (3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione?
The InChIKey is OGIWFHIGVBGXAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-14-17(22)19(12-9-15-7-3-2-4-8-15)13-16(21)20(14)11-6-5-10-18/h2-4,7-8,14H,5-6,9-13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione?
(3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione has a molecular weight of 306.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-fluorobutyl)-3-methyl-1-(2-phenylethyl)piperazine-2,5-dione is sourced from PubChem (CID 165425719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).