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1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide

ChemBase ID: 866113
Molecular Formular: C21H23ClN2O2
Molecular Mass: 370.87252
Monoisotopic Mass: 370.14480567
SMILES and InChIs

SMILES:
N1(C(=O)CCC(C1)C(=O)NCCc1ccccc1)Cc1ccc(Cl)cc1
Canonical SMILES:
O=C(C1CCC(=O)N(C1)Cc1ccc(cc1)Cl)NCCc1ccccc1
InChI:
InChI=1S/C21H23ClN2O2/c22-19-9-6-17(7-10-19)14-24-15-18(8-11-20(24)25)21(26)23-13-12-16-4-2-1-3-5-16/h1-7,9-10,18H,8,11-15H2,(H,23,26)
InChIKey:
ICJFZYFQAAVRNN-UHFFFAOYSA-N

Cite this record

CBID:866113 http://www.chembase.cn/molecule-866113.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
IUPAC Traditional name
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
Synonyms
1-(4-chlorobenzyl)-6-oxo-N-(2-phenylethyl)-3-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66799244 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 15.077343  H Acceptors
H Donor LogD (pH = 5.5) 3.225673 
LogD (pH = 7.4) 3.225673  Log P 3.225673 
Molar Refractivity 103.3454 cm3 Polarizability 40.042114 Å3
Polar Surface Area 49.41 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.32  LOG S -4.64 
Polar Surface Area 49.41 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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