dibenzyl piperidine-1,3-dicarboxylate

C21H23NO4 — CID 13419233

IUPACdibenzyl piperidine-1,3-dicarboxylate
SMILESO=C(OCc1ccccc1)C1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H23NO4/c23-20(25-15-17-8-3-1-4-9-17)19-12-7-13-22(14-19)21(24)26-16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2
InChIKeyQSYUKQUFMGWCOD-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.78
Rot. Bonds5

About dibenzyl piperidine-1,3-dicarboxylate

dibenzyl piperidine-1,3-dicarboxylate (PubChem CID 13419233) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is dibenzyl piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Namedibenzyl piperidine-1,3-dicarboxylate
PubChem CID13419233
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namedibenzyl piperidine-1,3-dicarboxylate
SMILESO=C(OCc1ccccc1)C1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C21H23NO4/c23-20(25-15-17-8-3-1-4-9-17)19-12-7-13-22(14-19)21(24)26-16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2
InChIKeyQSYUKQUFMGWCOD-UHFFFAOYSA-N
XLogP3.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dibenzyl piperidine-1,3-dicarboxylate?
The IUPAC name of dibenzyl piperidine-1,3-dicarboxylate (CID 13419233) is dibenzyl piperidine-1,3-dicarboxylate.
What is the SMILES notation for dibenzyl piperidine-1,3-dicarboxylate?
The canonical SMILES for dibenzyl piperidine-1,3-dicarboxylate is O=C(OCc1ccccc1)C1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of dibenzyl piperidine-1,3-dicarboxylate?
The InChIKey is QSYUKQUFMGWCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-20(25-15-17-8-3-1-4-9-17)19-12-7-13-22(14-19)21(24)26-16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2.
What are the key properties of dibenzyl piperidine-1,3-dicarboxylate?
dibenzyl piperidine-1,3-dicarboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl piperidine-1,3-dicarboxylate is sourced from PubChem (CID 13419233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).