(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione

C17H24N2O4 — CID 165418850

IUPAC(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
SMILESCOCCOCCN1C(=O)CN(Cc2ccccc2)C(=O)[C@@H]1C
InChIInChI=1S/C17H24N2O4/c1-14-17(21)18(12-15-6-4-3-5-7-15)13-16(20)19(14)8-9-23-11-10-22-2/h3-7,14H,8-13H2,1-2H3/t14-/m0/s1
InChIKeyRMUYFDFAKAIMOF-AWEZNQCLSA-N
MW320.39 g/mol
LogP0.91
Rot. Bonds8

About (3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione

(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione (PubChem CID 165418850) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
PubChem CID165418850
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
SMILESCOCCOCCN1C(=O)CN(Cc2ccccc2)C(=O)[C@@H]1C
InChIInChI=1S/C17H24N2O4/c1-14-17(21)18(12-15-6-4-3-5-7-15)13-16(20)19(14)8-9-23-11-10-22-2/h3-7,14H,8-13H2,1-2H3/t14-/m0/s1
InChIKeyRMUYFDFAKAIMOF-AWEZNQCLSA-N
XLogP0.91
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-benzyl-4-[2-(2-ethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165423642
(3S)-1-benzyl-4-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 165420575
(3S)-3-methyl-4-(2-phenylmethoxyethyl)-1-propylpiperazine-2,5-dione
CID 165423639
(3S)-1-benzyl-4-[2-(2,4-dimethylphenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 165425878
(3S)-1-benzyl-4-(2-cyclohexylethyl)-3-methylpiperazine-2,5-dione
CID 165426700
(3R)-1-benzyl-3-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 165421787
(3R)-1-benzyl-4-[(5-chloro-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165424500
(3S)-1-benzyl-4-[(3-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 165423232
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
(3S)-1-[(4-methoxyphenyl)methyl]-3-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-2,5-dione
CID 164699527
(3R)-1-benzyl-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpiperazine-2,5-dione
CID 166620960

Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of (3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione (CID 165418850) is (3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for (3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione is COCCOCCN1C(=O)CN(Cc2ccccc2)C(=O)[C@@H]1C.
What is the InChIKey of (3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione?
The InChIKey is RMUYFDFAKAIMOF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-14-17(21)18(12-15-6-4-3-5-7-15)13-16(20)19(14)8-9-23-11-10-22-2/h3-7,14H,8-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione?
(3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione has a molecular weight of 320.39 g/mol, XLogP of 0.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-4-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 165418850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).