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N,N-diethyl-2-{3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl}acetamide

ChemBase ID: 470243
Molecular Formular: C23H29N3O2
Molecular Mass: 379.49526
Monoisotopic Mass: 379.22597718
SMILES and InChIs

SMILES:
C(C1N(Cc2ccc(c3ccccc3)cc2)CCNC1=O)C(=O)N(CC)CC
Canonical SMILES:
CCN(C(=O)CC1N(CCNC1=O)Cc1ccc(cc1)c1ccccc1)CC
InChI:
InChI=1S/C23H29N3O2/c1-3-25(4-2)22(27)16-21-23(28)24-14-15-26(21)17-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,21H,3-4,14-17H2,1-2H3,(H,24,28)
InChIKey:
HOCRAURYVMHLIG-UHFFFAOYSA-N

Cite this record

CBID:470243 http://www.chembase.cn/molecule-470243.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethyl-2-{3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl}acetamide
IUPAC Traditional name
N,N-diethyl-2-{3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl}acetamide
Synonyms
2-[1-(4-biphenylylmethyl)-3-oxo-2-piperazinyl]-N,N-diethylacetamide

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)
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 14.406349  H Acceptors
H Donor LogD (pH = 5.5) 1.398299 
LogD (pH = 7.4) 2.4965878  Log P 2.5660374 
Molar Refractivity 112.2135 cm3 Polarizability 44.775856 Å3
Polar Surface Area 52.65 Å2
Rotatable Bonds H Acceptors
H Donor Log P 2.06 
LOG S -3.73  Polar Surface Area 52.65 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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