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methyl({[3-({1-[4-(morpholin-4-yl)benzoyl]piperidin-4-yl}oxy)phenyl]methyl})(2-phenylethyl)amine

ChemBase ID: 321798
Molecular Formular: C32H39N3O3
Molecular Mass: 513.67036
Monoisotopic Mass: 513.29914212
SMILES and InChIs

SMILES:
C(=O)(N1CCC(Oc2cc(CN(CCc3ccccc3)C)ccc2)CC1)c1ccc(N2CCOCC2)cc1
Canonical SMILES:
CN(Cc1cccc(c1)OC1CCN(CC1)C(=O)c1ccc(cc1)N1CCOCC1)CCc1ccccc1
InChI:
InChI=1S/C32H39N3O3/c1-33(17-14-26-6-3-2-4-7-26)25-27-8-5-9-31(24-27)38-30-15-18-35(19-16-30)32(36)28-10-12-29(13-11-28)34-20-22-37-23-21-34/h2-13,24,30H,14-23,25H2,1H3
InChIKey:
GVDKSSYSZNFFAS-UHFFFAOYSA-N

Cite this record

CBID:321798 http://www.chembase.cn/molecule-321798.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl({[3-({1-[4-(morpholin-4-yl)benzoyl]piperidin-4-yl}oxy)phenyl]methyl})(2-phenylethyl)amine
IUPAC Traditional name
methyl({[3-({1-[4-(morpholin-4-yl)benzoyl]piperidin-4-yl}oxy)phenyl]methyl})(2-phenylethyl)amine
Synonyms
N-methyl-N-[3-({1-[4-(4-morpholinyl)benzoyl]-4-piperidinyl}oxy)benzyl]-2-phenylethanamine

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)
H Acceptors H Donor
LogD (pH = 5.5) 1.4551983  LogD (pH = 7.4) 2.9071467 
Log P 4.767524  Molar Refractivity 154.3274 cm3
Polarizability 58.797443 Å3 Polar Surface Area 45.25 Å2
Rotatable Bonds Lipinski's Rule of Five false 
H Acceptors H Donor
Log P 4.6  LOG S -5.65 
Polar Surface Area 45.25 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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