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60618-49-7 molecular structure
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N-[4-(methoxymethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide

ChemBase ID: 129226
Molecular Formular: C24H32N2O2
Molecular Mass: 380.52308
Monoisotopic Mass: 380.24637827
SMILES and InChIs

SMILES:
O=C(CC)N(C1(CCN(CCc2ccccc2)CC1)COC)c1ccccc1
Canonical SMILES:
COCC1(CCN(CC1)CCc1ccccc1)N(c1ccccc1)C(=O)CC
InChI:
InChI=1S/C24H32N2O2/c1-3-23(27)26(22-12-8-5-9-13-22)24(20-28-2)15-18-25(19-16-24)17-14-21-10-6-4-7-11-21/h4-13H,3,14-20H2,1-2H3
InChIKey:
GARXJOUQUSNOGK-UHFFFAOYSA-N

Cite this record

CBID:129226 http://www.chembase.cn/molecule-129226.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(methoxymethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
IUPAC Traditional name
N-[4-(methoxymethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
Synonyms
R-30490
CAS Number
60618-49-7
PubChem SID
162223523
PubChem CID
124716
CHEMBL
609147
Wikipedia Title
R-30490

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.57124776  LogD (pH = 7.4) 2.2264926 
Log P 3.6922917  Molar Refractivity 114.4156 cm3
Polarizability 44.654243 Å3 Polar Surface Area 32.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Bioassay(PubChem)
Protein Bound
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DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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