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1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide

ChemBase ID: 866165
Molecular Formular: C24H38N4O
Molecular Mass: 398.58472
Monoisotopic Mass: 398.30456186
SMILES and InChIs

SMILES:
N1(CC(C(=O)NCCN(C)C)CCC1)C1CCN(C2Cc3c(C2)cccc3)CC1
Canonical SMILES:
CN(CCNC(=O)C1CCCN(C1)C1CCN(CC1)C1Cc2c(C1)cccc2)C
InChI:
InChI=1S/C24H38N4O/c1-26(2)15-11-25-24(29)21-8-5-12-28(18-21)22-9-13-27(14-10-22)23-16-19-6-3-4-7-20(19)17-23/h3-4,6-7,21-23H,5,8-18H2,1-2H3,(H,25,29)
InChIKey:
MXTXUZPKGKTFFB-UHFFFAOYSA-N

Cite this record

CBID:866165 http://www.chembase.cn/molecule-866165.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
IUPAC Traditional name
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
Synonyms
1'-(2,3-dihydro-1H-inden-2-yl)-N-[2-(dimethylamino)ethyl]-1,4'-bipiperidine-3-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.948951  H Acceptors
H Donor LogD (pH = 5.5) -6.5098624 
LogD (pH = 7.4) -2.3211727  Log P 1.9941616 
Molar Refractivity 120.7525 cm3 Polarizability 46.94121 Å3
Polar Surface Area 38.82 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.61  LOG S -4.33 
Polar Surface Area 38.82 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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