dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate

C21H21NO5 — CID 10642717

IUPACdibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CCCC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C21H21NO5/c23-19-13-7-12-18(20(24)26-14-16-8-3-1-4-9-16)22(19)21(25)27-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2/t18-/m0/s1
InChIKeyFEOZVDIRKGUJSC-SFHVURJKSA-N
MW367.40 g/mol
LogP3.45
Rot. Bonds5

About dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate

dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate (PubChem CID 10642717) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Namedibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
PubChem CID10642717
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Namedibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
SMILESO=C(OCc1ccccc1)[C@@H]1CCCC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C21H21NO5/c23-19-13-7-12-18(20(24)26-14-16-8-3-1-4-9-16)22(19)21(25)27-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2/t18-/m0/s1
InChIKeyFEOZVDIRKGUJSC-SFHVURJKSA-N
XLogP3.45
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-O-benzyl 1-O-tert-butyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 11759402
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 156766666
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
benzyl (2S)-1-ethyl-6-oxopiperidine-2-carboxylate
CID 129268188
dibenzyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;(2S)-5-oxopyrrolidine-2-carboxylic acid;iodide
CID 160811787
1-O-benzyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 54546875
benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 684653
dicyclohexylazanium;(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylate
CID 121230078
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
1-O-benzyl 2-O-(4-nitrophenyl) 5-oxopyrrolidine-1,2-dicarboxylate
CID 12850937
benzyl (2S)-2-[(2S)-2-(2,5-dihydroxypyrrol-1-yl)oxycarbonylpyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate
CID 54046003

Frequently Asked Questions

What is the IUPAC name of dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate?
The IUPAC name of dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate (CID 10642717) is dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate.
What is the SMILES notation for dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate?
The canonical SMILES for dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate is O=C(OCc1ccccc1)[C@@H]1CCCC(=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate?
The InChIKey is FEOZVDIRKGUJSC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21NO5/c23-19-13-7-12-18(20(24)26-14-16-8-3-1-4-9-16)22(19)21(25)27-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2/t18-/m0/s1.
What are the key properties of dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate?
dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate has a molecular weight of 367.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate is sourced from PubChem (CID 10642717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).