Basic information
- CAS
159299-93-1- Standard SMILES
COC(=O)C1CN(C(=O)OCc2ccccc2)CCC1=O- InChIKey
IMXBDLLIOVQVIF-UHFFFAOYSA-N- Molecular formula
- C15H17NO5
- Average molar mass
- 291.3 g/mol
- Monoisotopic mass
- 291.11067264
Names & identifiers
- Preferred name
- 1-Benzyl 3-methyl 4-oxopiperidine-1,3-dicarboxylate
- IUPAC
- 1-O-benzyl 3-O-methyl 4-oxopiperidine-1,3-dicarboxylate
- English name
- 4-Oxo-1,3-piperidinedicarboxylic acid 1-benzyl ester 3-methyl ester
- Molecular formula
- C15H17NO5
- Molecular weight
- 291.3
Names & synonyms
159299-93-11-Benzyl 3-methyl 4-oxopiperidine-1,3-dicarboxylateDTXSID20577906RefChem:227875DTXCID405286774-Oxo-1,3-piperidinedicarboxylic acid 1-benzyl ester 3-methyl ester140176-27-8MFCD099103571-O-benzyl 3-O-methyl 4-oxopiperidine-1,3-dicarboxylateMethyl 1-Cbz-4-oxopiperidine-3-carboxylate1,3-Piperidinedicarboxylic acid, 4-oxo-, 3-methyl 1-(phenylmethyl) esterIMXBDLLIOVQVIF-UHFFFAOYSA-N
Show more names
N-CBZ-3-carbomethoxy-4-piperidoneMethyl 1-benzyloxycarbonyl-4-oxo-3-piperidinecarboxylate4-Oxo-1,3-piperidinedicarboxylic acid 3-methyl 1-(phenylmethyl) ester4-OXO-1,3-PIPERIDINEDICARBOXYLIC ACID 1-BENZYL ESTER 3-METHYL ESTER (5GMS)
SCHEMBL854009AKOS027339695DS-12371SY115856DB-325079CS-0196834F11805EN300-7374777
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 435.2 · 435.2±45.0 °C(Predicted)
- Density
- 1.266 · 1.266
- pka
- 11.04 · 11.04±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers37 total
常州帝通化工有限公司+86-0519-88298848 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
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上海皓伯化工科技有限公司021-57790084 13918007836
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
许昌峰飞新材料科技有限公司19713077352; 19713077352 · [email protected]
Related reactions
3 records
Compound notes
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