(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione

C18H22N4O4 — CID 165424506

IUPAC(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(Cc2noc(C)n2)[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C18H22N4O4/c1-13-19-16(20-26-13)11-22-15(10-14-6-4-3-5-7-14)18(24)21(8-9-25-2)12-17(22)23/h3-7,15H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyHQGKRZKDBVZEIX-OAHLLOKOSA-N
MW358.40 g/mol
LogP0.81
Rot. Bonds7

About (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione

(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione (PubChem CID 165424506) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
PubChem CID165424506
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
SMILESCOCCN1CC(=O)N(Cc2noc(C)n2)[C@H](Cc2ccccc2)C1=O
InChIInChI=1S/C18H22N4O4/c1-13-19-16(20-26-13)11-22-15(10-14-6-4-3-5-7-14)18(24)21(8-9-25-2)12-17(22)23/h3-7,15H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyHQGKRZKDBVZEIX-OAHLLOKOSA-N
XLogP0.81
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-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 (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione (CID 165424506) is (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione is COCCN1CC(=O)N(Cc2noc(C)n2)[C@H](Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is HQGKRZKDBVZEIX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-13-19-16(20-26-13)11-22-15(10-14-6-4-3-5-7-14)18(24)21(8-9-25-2)12-17(22)23/h3-7,15H,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione?
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 358.40 g/mol, XLogP of 0.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzyl-1-(2-methoxyethyl)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 165424506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).