1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione

C14H18N2O3 — CID 20794518

IUPAC1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCC1NC(=O)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-19-8-7-12-14(18)16(10-13(17)15-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)
InChIKeyUQMCZRODYZPNDL-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.55
Rot. Bonds5

About 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione

1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione (PubChem CID 20794518) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione
PubChem CID20794518
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione
SMILESCOCCC1NC(=O)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-19-8-7-12-14(18)16(10-13(17)15-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17)
InChIKeyUQMCZRODYZPNDL-UHFFFAOYSA-N
XLogP0.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-3-(2-methoxyethyl)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

Related Compounds

Lacosamide
CID 219078
Spm-6953
CID 10634426
N-benzyl-2-acetamido-3-methoxypropionamide
CID 21634109
1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
(R)-2-Amino-N-benzyl-3-methoxypropionamide
CID 10104501
1-Benzyl-4-(methylamino)piperidine-4-carboxamide
CID 96411
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
1-Piperidineacetamide, 4-methyl-N-(phenylmethyl)-
CID 972703
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
1-Benzyl-4-(ethylamino)piperidine-4-carboxamide
CID 70567

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione?
The IUPAC name of 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione (CID 20794518) is 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione is COCCC1NC(=O)CN(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione?
The InChIKey is UQMCZRODYZPNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-8-7-12-14(18)16(10-13(17)15-12)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,15,17).
What are the key properties of 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione?
1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 20794518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).