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4-(3-chlorophenoxy)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine

ChemBase ID: 341242
Molecular Formular: C21H20ClNO3
Molecular Mass: 369.8414
Monoisotopic Mass: 369.11317119
SMILES and InChIs

SMILES:
C(=O)(N1CCC(Oc2cc(Cl)ccc2)CC1)c1cc2cc(oc2cc1)C
Canonical SMILES:
Clc1cccc(c1)OC1CCN(CC1)C(=O)c1ccc2c(c1)cc(o2)C
InChI:
InChI=1S/C21H20ClNO3/c1-14-11-16-12-15(5-6-20(16)25-14)21(24)23-9-7-18(8-10-23)26-19-4-2-3-17(22)13-19/h2-6,11-13,18H,7-10H2,1H3
InChIKey:
RLCPVYFUYMEFOX-UHFFFAOYSA-N

Cite this record

CBID:341242 http://www.chembase.cn/molecule-341242.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-chlorophenoxy)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine
IUPAC Traditional name
4-(3-chlorophenoxy)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidine
Synonyms
4-(3-chlorophenoxy)-1-[(2-methyl-1-benzofuran-5-yl)carbonyl]piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.8861787  LogD (pH = 7.4) 3.886179 
Log P 3.886179  Molar Refractivity 101.7096 cm3
Polarizability 39.913788 Å3 Polar Surface Area 42.68 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.36  LOG S -5.62 
Polar Surface Area 42.68 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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