1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate

C15H17NO5 — CID 10913298

IUPAC1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CCC(=O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO5/c1-20-14(18)13-8-7-12(17)9-16(13)15(19)21-10-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3/t13-/m0/s1
InChIKeyHFKHJRQXLOFHNO-ZDUSSCGKSA-N
MW291.30 g/mol
LogP1.53
Rot. Bonds3

About 1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate

1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate (PubChem CID 10913298) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate
PubChem CID10913298
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@@H]1CCC(=O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO5/c1-20-14(18)13-8-7-12(17)9-16(13)15(19)21-10-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3/t13-/m0/s1
InChIKeyHFKHJRQXLOFHNO-ZDUSSCGKSA-N
XLogP1.53
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-Diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
CID 445644
1-Carbobenzoxy-2-piperidinecarboxylic Acid
CID 4431026
1,3-Diphenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 44338317
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid (R)-1,3-diphenyl-propyl ester
CID 44365490
2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 8027482
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
1-Benzyloxycarbonyl-3-piperidone
CID 1514169
Benzyl 1-(2-methoxy-2-oxoacetyl)piperidine-2-carboxylate
CID 9817974
(S)-1-N-Cbz-Pipecolinic acid
CID 688345
(2R)-1-((Benzyloxy)carbonyl)piperidine-2-carboxylic acid
CID 688346
1-Benzyl 4-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CID 4451965
N-benzyloxycarbonyl-L-glutamic anhydride
CID 107506

Frequently Asked Questions

What is the IUPAC name of 1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate?
The IUPAC name of 1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate (CID 10913298) is 1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate.
What is the SMILES notation for 1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate?
The canonical SMILES for 1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate is COC(=O)[C@@H]1CCC(=O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of 1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate?
The InChIKey is HFKHJRQXLOFHNO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17NO5/c1-20-14(18)13-8-7-12(17)9-16(13)15(19)21-10-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3/t13-/m0/s1.
What are the key properties of 1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate?
1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate has a molecular weight of 291.30 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-benzyl 2-O-methyl (2S)-5-oxopiperidine-1,2-dicarboxylate is sourced from PubChem (CID 10913298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).