1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate

C14H18N2O4 — CID 14751355

IUPAC1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
SMILESCOC(=O)C1CNCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-19-13(17)12-9-15-7-8-16(12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChIKeyHOLPEQRNMJTIIX-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.77
Rot. Bonds3

About 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate

1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate (PubChem CID 14751355) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
PubChem CID14751355
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
SMILESCOC(=O)C1CNCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H18N2O4/c1-19-13(17)12-9-15-7-8-16(12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChIKeyHOLPEQRNMJTIIX-UHFFFAOYSA-N
XLogP0.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate 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

2-O-benzyl 1-O-tert-butyl (2S)-piperazine-1,2-dicarboxylate
CID 67807458
benzyl 2-(methoxymethyl)piperazine-1-carboxylate
CID 141396583
benzyl 2-tert-butylpiperazine-1-carboxylate
CID 158296243
benzyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072579
1-O-benzyl 2-O-cyclopentyl 4-methylpiperazine-1,2-dicarboxylate;1-O-benzyl 2-O-cyclopentyl piperazine-1,2-dicarboxylate;4-methyl-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 158494761
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
methyl 1-benzylpiperazine-2-carboxylate
CID 22721935
1-O-benzyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane;2-methylprop-1-ene
CID 143105082
methyl 1-benzylpiperazine-2-carboxylate;hydrochloride
CID 53487359
1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
1-O-benzyl 2-O,4-O-dimethyl (2S)-pyrrolidine-1,2,4-tricarboxylate
CID 18391513

Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate?
The IUPAC name of 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate (CID 14751355) is 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate?
The canonical SMILES for 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate is COC(=O)C1CNCCN1C(=O)OCc1ccccc1.
What is the InChIKey of 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate?
The InChIKey is HOLPEQRNMJTIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-13(17)12-9-15-7-8-16(12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3.
What are the key properties of 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate?
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate is sourced from PubChem (CID 14751355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).