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

C21H20N4O3 — CID 164690480

IUPAC(3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione
SMILESCN1CC(=O)N(Cc2nnc(-c3ccccc3)o2)[C@@H](Cc2ccccc2)C1=O
InChIInChI=1S/C21H20N4O3/c1-24-14-19(26)25(17(21(24)27)12-15-8-4-2-5-9-15)13-18-22-23-20(28-18)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m0/s1
InChIKeyPSLIQQYKBHKNPU-KRWDZBQOSA-N
MW376.42 g/mol
LogP2.15
Rot. Bonds5

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

(3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione (PubChem CID 164690480) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione
PubChem CID164690480
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione
SMILESCN1CC(=O)N(Cc2nnc(-c3ccccc3)o2)[C@@H](Cc2ccccc2)C1=O
InChIInChI=1S/C21H20N4O3/c1-24-14-19(26)25(17(21(24)27)12-15-8-4-2-5-9-15)13-18-22-23-20(28-18)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m0/s1
InChIKeyPSLIQQYKBHKNPU-KRWDZBQOSA-N
XLogP2.15
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione with MolForge

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Related Compounds

3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911
(3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 165417477
(3S)-3-benzyl-4-[(3-methoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165422175
(3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione
CID 165419607
(3S)-1-benzyl-4-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpiperazine-2,5-dione
CID 165420938
(3S)-3-benzyl-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165427693
(3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione
CID 165420025
(3S)-3-benzyl-4-[2-(2-ethoxyphenoxy)ethyl]-1-methylpiperazine-2,5-dione
CID 165422735
(3aR,7aS)-5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138377740
(3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione
CID 165423395
1-benzyl-5-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 110408580
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione?
The IUPAC name of (3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione (CID 164690480) is (3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for (3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for (3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione is CN1CC(=O)N(Cc2nnc(-c3ccccc3)o2)[C@@H](Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione?
The InChIKey is PSLIQQYKBHKNPU-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-24-14-19(26)25(17(21(24)27)12-15-8-4-2-5-9-15)13-18-22-23-20(28-18)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione?
(3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione has a molecular weight of 376.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 164690480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).