(3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione

C21H18N2O3S — CID 7693903

IUPAC(3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione
SMILESCOc1ccccc1N1CC(=O)N(c2ccccc2)[C@H](c2ccsc2)C1=O
InChIInChI=1S/C21H18N2O3S/c1-26-18-10-6-5-9-17(18)22-13-19(24)23(16-7-3-2-4-8-16)20(21(22)25)15-11-12-27-14-15/h2-12,14,20H,13H2,1H3/t20-/m1/s1
InChIKeyWBOCQOZJUYQBTH-HXUWFJFHSA-N
MW378.45 g/mol
LogP3.88
Rot. Bonds4

About (3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione

(3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione (PubChem CID 7693903) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is (3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione
PubChem CID7693903
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name(3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione
SMILESCOc1ccccc1N1CC(=O)N(c2ccccc2)[C@H](c2ccsc2)C1=O
InChIInChI=1S/C21H18N2O3S/c1-26-18-10-6-5-9-17(18)22-13-19(24)23(16-7-3-2-4-8-16)20(21(22)25)15-11-12-27-14-15/h2-12,14,20H,13H2,1H3/t20-/m1/s1
InChIKeyWBOCQOZJUYQBTH-HXUWFJFHSA-N
XLogP3.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2,3-dimethylphenyl)-4-(2-methoxyphenyl)-3-thiophen-2-ylpiperazine-2,5-dione
CID 7333055
1-(2-methoxyphenyl)-4-(4-methoxyphenyl)-3-(1-phenylprop-1-en-2-yl)piperazine-2,5-dione
CID 71963921
(5R)-1-(2-methoxyphenyl)-5-methyl-4-(3-thiophen-3-ylpropanoyl)piperazin-2-one
CID 96575287
(3R)-1-(2,3-dimethylphenyl)-4-phenyl-3-thiophen-2-ylpiperazine-2,5-dione
CID 7693694
(3S)-4-(4-chlorophenyl)-1-(2-fluorophenyl)-3-phenylpiperazine-2,5-dione
CID 7693734
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
(3R)-1-(2,6-dimethylphenyl)-4-(4-methylphenyl)-3-phenylpiperazine-2,5-dione
CID 7692921
1-(2-methoxyphenyl)-4-phenylpiperidine-2,6-dione
CID 42628281
3-tert-butyl-2-(3-tert-butyl-4-methoxy-3-oxo-1-phenyl-2H-1,3λ5-benzazaphosphol-2-yl)-4-methoxy-1-phenyl-2H-1,3λ5-benzazaphosphole 3-oxide
CID 134572645
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one
CID 125450904
4-isocyanato-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 82024637

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione?
The IUPAC name of (3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione (CID 7693903) is (3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione?
The canonical SMILES for (3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione is COc1ccccc1N1CC(=O)N(c2ccccc2)[C@H](c2ccsc2)C1=O.
What is the InChIKey of (3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione?
The InChIKey is WBOCQOZJUYQBTH-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-26-18-10-6-5-9-17(18)22-13-19(24)23(16-7-3-2-4-8-16)20(21(22)25)15-11-12-27-14-15/h2-12,14,20H,13H2,1H3/t20-/m1/s1.
What are the key properties of (3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione?
(3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione has a molecular weight of 378.45 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methoxyphenyl)-4-phenyl-3-thiophen-3-ylpiperazine-2,5-dione is sourced from PubChem (CID 7693903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).