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1-{[5-(methoxymethyl)furan-2-yl]methyl}-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide

ChemBase ID: 360301
Molecular Formular: C26H30N2O4
Molecular Mass: 434.5274
Monoisotopic Mass: 434.22055745
SMILES and InChIs

SMILES:
C(=O)(Nc1c(c2ccc(cc2)OC)cccc1)C1CN(Cc2oc(cc2)COC)CCC1
Canonical SMILES:
COCc1ccc(o1)CN1CCCC(C1)C(=O)Nc1ccccc1c1ccc(cc1)OC
InChI:
InChI=1S/C26H30N2O4/c1-30-18-23-14-13-22(32-23)17-28-15-5-6-20(16-28)26(29)27-25-8-4-3-7-24(25)19-9-11-21(31-2)12-10-19/h3-4,7-14,20H,5-6,15-18H2,1-2H3,(H,27,29)
InChIKey:
KTAPQKDDOKNISQ-UHFFFAOYSA-N

Cite this record

CBID:360301 http://www.chembase.cn/molecule-360301.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{[5-(methoxymethyl)furan-2-yl]methyl}-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
IUPAC Traditional name
1-{[5-(methoxymethyl)furan-2-yl]methyl}-N-[2-(4-methoxyphenyl)phenyl]piperidine-3-carboxamide
Synonyms
N-(4'-methoxy-2-biphenylyl)-1-{[5-(methoxymethyl)-2-furyl]methyl}-3-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.338067  H Acceptors
H Donor LogD (pH = 5.5) 1.1233383 
LogD (pH = 7.4) 2.8872538  Log P 3.923541 
Molar Refractivity 126.5408 cm3 Polarizability 49.510307 Å3
Polar Surface Area 63.94 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.57  LOG S -4.69 
Polar Surface Area 63.94 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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