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2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-2-yl)-5-methoxybenzamide

ChemBase ID: 510029
Molecular Formular: C27H34N2O3
Molecular Mass: 434.57046
Monoisotopic Mass: 434.25694296
SMILES and InChIs

SMILES:
c1(C(=O)NC2Cc3c(C2)cccc3)c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC
Canonical SMILES:
COc1ccc(c(c1)C(=O)NC1Cc2c(C1)cccc2)OC1CCN(CC1)C1CCCC1
InChI:
InChI=1S/C27H34N2O3/c1-31-24-10-11-26(32-23-12-14-29(15-13-23)22-8-4-5-9-22)25(18-24)27(30)28-21-16-19-6-2-3-7-20(19)17-21/h2-3,6-7,10-11,18,21-23H,4-5,8-9,12-17H2,1H3,(H,28,30)
InChIKey:
AUBOZBNTMAGEHP-UHFFFAOYSA-N

Cite this record

CBID:510029 http://www.chembase.cn/molecule-510029.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-2-yl)-5-methoxybenzamide
IUPAC Traditional name
2-[(1-cyclopentylpiperidin-4-yl)oxy]-N-(2,3-dihydro-1H-inden-2-yl)-5-methoxybenzamide
Synonyms
2-[(1-cyclopentyl-4-piperidinyl)oxy]-N-(2,3-dihydro-1H-inden-2-yl)-5-methoxybenzamide

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 13.826374  H Acceptors
H Donor LogD (pH = 5.5) 0.8535668 
LogD (pH = 7.4) 2.1739058  Log P 4.2265177 
Molar Refractivity 127.1712 cm3 Polarizability 49.22948 Å3
Polar Surface Area 50.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.27  LOG S -6.19 
Polar Surface Area 50.8 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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