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N-methyl-N-[2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-(1H-pyrazol-1-yl)acetamide

ChemBase ID: 340587
Molecular Formular: C30H38N4O2
Molecular Mass: 486.64832
Monoisotopic Mass: 486.29947648
SMILES and InChIs

SMILES:
C(=O)(N(C(Cc1c(C)cccc1)C1CCN(C(=O)CCCc2ccccc2)CC1)C)Cn1nccc1
Canonical SMILES:
CN(C(C1CCN(CC1)C(=O)CCCc1ccccc1)Cc1ccccc1C)C(=O)Cn1cccn1
InChI:
InChI=1S/C30H38N4O2/c1-24-10-6-7-14-27(24)22-28(32(2)30(36)23-34-19-9-18-31-34)26-16-20-33(21-17-26)29(35)15-8-13-25-11-4-3-5-12-25/h3-7,9-12,14,18-19,26,28H,8,13,15-17,20-23H2,1-2H3
InChIKey:
XULVYKLIFPTKGI-UHFFFAOYSA-N

Cite this record

CBID:340587 http://www.chembase.cn/molecule-340587.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-N-[2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-(1H-pyrazol-1-yl)acetamide
IUPAC Traditional name
N-methyl-N-[2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)piperidin-4-yl]ethyl]-2-(pyrazol-1-yl)acetamide
Synonyms
N-methyl-N-{2-(2-methylphenyl)-1-[1-(4-phenylbutanoyl)-4-piperidinyl]ethyl}-2-(1H-pyrazol-1-yl)acetamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13898739 external link Add to cart
Data Source Data ID Price
ChemBridge
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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) 4.543487  LogD (pH = 7.4) 4.5435987 
Log P 4.5436  Molar Refractivity 155.2048 cm3
Polarizability 55.567318 Å3 Polar Surface Area 58.44 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.87  LOG S -5.56 
Polar Surface Area 58.44 Å2 Rotatable Bonds 10 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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