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5-(3-methoxyphenyl)-N-[2-(piperidin-1-yl)ethyl]furan-2-carboxamide

ChemBase ID: 450084
Molecular Formular: C19H24N2O3
Molecular Mass: 328.40546
Monoisotopic Mass: 328.17869264
SMILES and InChIs

SMILES:
o1c(C(=O)NCCN2CCCCC2)ccc1c1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)c1ccc(o1)C(=O)NCCN1CCCCC1
InChI:
InChI=1S/C19H24N2O3/c1-23-16-7-5-6-15(14-16)17-8-9-18(24-17)19(22)20-10-13-21-11-3-2-4-12-21/h5-9,14H,2-4,10-13H2,1H3,(H,20,22)
InChIKey:
OQHAJJXTHICEBS-UHFFFAOYSA-N

Cite this record

CBID:450084 http://www.chembase.cn/molecule-450084.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(3-methoxyphenyl)-N-[2-(piperidin-1-yl)ethyl]furan-2-carboxamide
IUPAC Traditional name
5-(3-methoxyphenyl)-N-[2-(piperidin-1-yl)ethyl]furan-2-carboxamide
Synonyms
5-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-2-furamide

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)
Acid pKa 14.525802  H Acceptors
H Donor LogD (pH = 5.5) 0.028118988 
LogD (pH = 7.4) 1.7759753  Log P 2.3863747 
Molar Refractivity 94.062 cm3 Polarizability 37.193752 Å3
Polar Surface Area 54.71 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.66  LOG S -3.87 
Polar Surface Area 54.71 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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