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4-(1H-imidazol-2-yl)-1-(2-phenylbenzoyl)piperidine

ChemBase ID: 341056
Molecular Formular: C21H21N3O
Molecular Mass: 331.41094
Monoisotopic Mass: 331.16846231
SMILES and InChIs

SMILES:
C(=O)(c1c(c2ccccc2)cccc1)N1CCC(c2ncc[nH]2)CC1
Canonical SMILES:
O=C(c1ccccc1c1ccccc1)N1CCC(CC1)c1ncc[nH]1
InChI:
InChI=1S/C21H21N3O/c25-21(24-14-10-17(11-15-24)20-22-12-13-23-20)19-9-5-4-8-18(19)16-6-2-1-3-7-16/h1-9,12-13,17H,10-11,14-15H2,(H,22,23)
InChIKey:
ZAEMNUMBMBSTMH-UHFFFAOYSA-N

Cite this record

CBID:341056 http://www.chembase.cn/molecule-341056.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1H-imidazol-2-yl)-1-(2-phenylbenzoyl)piperidine
IUPAC Traditional name
4-(1H-imidazol-2-yl)-1-(2-phenylbenzoyl)piperidine
Synonyms
1-(2-biphenylylcarbonyl)-4-(1H-imidazol-2-yl)piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13967137 external link Add to cart
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 12.896138  H Acceptors
H Donor LogD (pH = 5.5) 2.4245045 
LogD (pH = 7.4) 3.1475136  Log P 3.1927605 
Molar Refractivity 99.2577 cm3 Polarizability 39.037933 Å3
Polar Surface Area 48.99 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.8  LOG S -3.15 
Polar Surface Area 48.99 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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