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ethyl 3-[(2-fluorophenyl)methyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-3-carboxylate

ChemBase ID: 370399
Molecular Formular: C21H24FNO5
Molecular Mass: 389.4173632
Monoisotopic Mass: 389.16385109
SMILES and InChIs

SMILES:
C1(CN(C(=O)c2oc(cc2)OC)CCC1)(C(=O)OCC)Cc1c(F)cccc1
Canonical SMILES:
CCOC(=O)C1(CCCN(C1)C(=O)c1ccc(o1)OC)Cc1ccccc1F
InChI:
InChI=1S/C21H24FNO5/c1-3-27-20(25)21(13-15-7-4-5-8-16(15)22)11-6-12-23(14-21)19(24)17-9-10-18(26-2)28-17/h4-5,7-10H,3,6,11-14H2,1-2H3
InChIKey:
NKVSMHSBKLASDZ-UHFFFAOYSA-N

Cite this record

CBID:370399 http://www.chembase.cn/molecule-370399.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 3-[(2-fluorophenyl)methyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-3-carboxylate
IUPAC Traditional name
ethyl 3-[(2-fluorophenyl)methyl]-1-(5-methoxyfuran-2-carbonyl)piperidine-3-carboxylate
Synonyms
ethyl 3-(2-fluorobenzyl)-1-(5-methoxy-2-furoyl)-3-piperidinecarboxylate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.2719135  LogD (pH = 7.4) 3.2719135 
Log P 3.2719135  Molar Refractivity 100.1962 cm3
Polarizability 38.506985 Å3 Polar Surface Area 68.98 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.8  LOG S -3.01 
Polar Surface Area 68.98 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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