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148148-48-5 molecular structure
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benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

ChemBase ID: 113065
Molecular Formular: C16H22N2O4
Molecular Mass: 306.35688
Monoisotopic Mass: 306.15795719
SMILES and InChIs

SMILES:
C(=O)(N1CCC(C(=O)N(OC)C)CC1)OCc1ccccc1
Canonical SMILES:
CON(C(=O)C1CCN(CC1)C(=O)OCc1ccccc1)C
InChI:
InChI=1S/C16H22N2O4/c1-17(21-2)15(19)14-8-10-18(11-9-14)16(20)22-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
InChIKey:
XVSOLNIURSFPEU-UHFFFAOYSA-N

Cite this record

CBID:113065 http://www.chembase.cn/molecule-113065.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
IUPAC Traditional name
benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
Synonyms
benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
CAS Number
148148-48-5
PubChem SID
162097595
PubChem CID
22574154

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 22574154 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6254512  LogD (pH = 7.4) 1.6254512 
Log P 1.6254512  Molar Refractivity 81.8432 cm3
Polarizability 31.84245 Å3 Polar Surface Area 59.08 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
Oil expand Show data source
Purity
>95% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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