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1-{1-[(4-ethoxyphenyl)methyl]piperidin-4-yl}-N-(propan-2-yl)piperidine-4-carboxamide

ChemBase ID: 370457
Molecular Formular: C23H37N3O2
Molecular Mass: 387.55878
Monoisotopic Mass: 387.28857744
SMILES and InChIs

SMILES:
C(=O)(NC(C)C)C1CCN(C2CCN(CC2)Cc2ccc(cc2)OCC)CC1
Canonical SMILES:
CCOc1ccc(cc1)CN1CCC(CC1)N1CCC(CC1)C(=O)NC(C)C
InChI:
InChI=1S/C23H37N3O2/c1-4-28-22-7-5-19(6-8-22)17-25-13-11-21(12-14-25)26-15-9-20(10-16-26)23(27)24-18(2)3/h5-8,18,20-21H,4,9-17H2,1-3H3,(H,24,27)
InChIKey:
CBAZNIXJMXOPAU-UHFFFAOYSA-N

Cite this record

CBID:370457 http://www.chembase.cn/molecule-370457.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{1-[(4-ethoxyphenyl)methyl]piperidin-4-yl}-N-(propan-2-yl)piperidine-4-carboxamide
IUPAC Traditional name
1-{1-[(4-ethoxyphenyl)methyl]piperidin-4-yl}-N-isopropylpiperidine-4-carboxamide
Synonyms
1'-(4-ethoxybenzyl)-N-isopropyl-1,4'-bipiperidine-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.994189  H Acceptors
H Donor LogD (pH = 5.5) -2.378318 
LogD (pH = 7.4) -0.16920716  Log P 2.4038124 
Molar Refractivity 115.5318 cm3 Polarizability 45.12055 Å3
Polar Surface Area 44.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.02  LOG S -2.9 
Polar Surface Area 44.81 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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