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1-[(2-hydroxyphenyl)methyl]-N-[4-(pyridin-3-yloxy)phenyl]piperidine-2-carboxamide

ChemBase ID: 323137
Molecular Formular: C24H25N3O3
Molecular Mass: 403.4736
Monoisotopic Mass: 403.18959168
SMILES and InChIs

SMILES:
N1(C(C(=O)Nc2ccc(Oc3cnccc3)cc2)CCCC1)Cc1c(O)cccc1
Canonical SMILES:
O=C(C1CCCCN1Cc1ccccc1O)Nc1ccc(cc1)Oc1cccnc1
InChI:
InChI=1S/C24H25N3O3/c28-23-9-2-1-6-18(23)17-27-15-4-3-8-22(27)24(29)26-19-10-12-20(13-11-19)30-21-7-5-14-25-16-21/h1-2,5-7,9-14,16,22,28H,3-4,8,15,17H2,(H,26,29)
InChIKey:
UDGPZOCNDMNCIP-UHFFFAOYSA-N

Cite this record

CBID:323137 http://www.chembase.cn/molecule-323137.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(2-hydroxyphenyl)methyl]-N-[4-(pyridin-3-yloxy)phenyl]piperidine-2-carboxamide
IUPAC Traditional name
1-[(2-hydroxyphenyl)methyl]-N-[4-(pyridin-3-yloxy)phenyl]piperidine-2-carboxamide
Synonyms
1-(2-hydroxybenzyl)-N-[4-(3-pyridinyloxy)phenyl]-2-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 8.892153  H Acceptors
H Donor LogD (pH = 5.5) 1.3833051 
LogD (pH = 7.4) 3.1500604  Log P 3.462312 
Molar Refractivity 116.9147 cm3 Polarizability 44.83883 Å3
Polar Surface Area 74.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.01  LOG S -4.04 
Polar Surface Area 74.69 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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