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6-[3-(3,4-dimethoxybenzoyl)piperidine-1-carbonyl]-1H-indole

ChemBase ID: 340864
Molecular Formular: C23H24N2O4
Molecular Mass: 392.44766
Monoisotopic Mass: 392.17360726
SMILES and InChIs

SMILES:
N1(C(=O)c2cc3[nH]ccc3cc2)CC(C(=O)c2cc(c(cc2)OC)OC)CCC1
Canonical SMILES:
COc1cc(ccc1OC)C(=O)C1CCCN(C1)C(=O)c1ccc2c(c1)[nH]cc2
InChI:
InChI=1S/C23H24N2O4/c1-28-20-8-7-16(13-21(20)29-2)22(26)18-4-3-11-25(14-18)23(27)17-6-5-15-9-10-24-19(15)12-17/h5-10,12-13,18,24H,3-4,11,14H2,1-2H3
InChIKey:
SVACLHCUMGWVJA-UHFFFAOYSA-N

Cite this record

CBID:340864 http://www.chembase.cn/molecule-340864.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-[3-(3,4-dimethoxybenzoyl)piperidine-1-carbonyl]-1H-indole
IUPAC Traditional name
6-[3-(3,4-dimethoxybenzoyl)piperidine-1-carbonyl]-1H-indole
Synonyms
(3,4-dimethoxyphenyl)[1-(1H-indol-6-ylcarbonyl)-3-piperidinyl]methanone

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13939225 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 15.038842  H Acceptors
H Donor LogD (pH = 5.5) 3.0379148 
LogD (pH = 7.4) 3.0379148  Log P 3.0379148 
Molar Refractivity 110.9877 cm3 Polarizability 43.36695 Å3
Polar Surface Area 71.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.15  LOG S -4.88 
Polar Surface Area 71.63 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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