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3-(3,4-dimethoxybenzoyl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide

ChemBase ID: 370668
Molecular Formular: C23H28N2O4
Molecular Mass: 396.47942
Monoisotopic Mass: 396.20490739
SMILES and InChIs

SMILES:
C(=O)(Nc1c(cccc1C)C)N1CC(C(=O)c2cc(c(cc2)OC)OC)CCC1
Canonical SMILES:
COc1cc(ccc1OC)C(=O)C1CCCN(C1)C(=O)Nc1c(C)cccc1C
InChI:
InChI=1S/C23H28N2O4/c1-15-7-5-8-16(2)21(15)24-23(27)25-12-6-9-18(14-25)22(26)17-10-11-19(28-3)20(13-17)29-4/h5,7-8,10-11,13,18H,6,9,12,14H2,1-4H3,(H,24,27)
InChIKey:
ZXMCXFVOBPMAAR-UHFFFAOYSA-N

Cite this record

CBID:370668 http://www.chembase.cn/molecule-370668.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3,4-dimethoxybenzoyl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
IUPAC Traditional name
3-(3,4-dimethoxybenzoyl)-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
Synonyms
3-(3,4-dimethoxybenzoyl)-N-(2,6-dimethylphenyl)-1-piperidinecarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 18304487 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)
Lipinski's Rule of Five true  Acid pKa 13.799045 
H Acceptors H Donor
LogD (pH = 5.5) 4.0195203  LogD (pH = 7.4) 4.01952 
Log P 4.0195203  Molar Refractivity 114.4449 cm3
Polarizability 43.036926 Å3 Polar Surface Area 67.87 Å2
Rotatable Bonds
H Acceptors H Donor
Log P 2.77  LOG S -4.95 
Polar Surface Area 67.87 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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