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N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

ChemBase ID: 321617
Molecular Formular: C26H43N5O
Molecular Mass: 441.65252
Monoisotopic Mass: 441.34676102
SMILES and InChIs

SMILES:
C(=O)(N(CC1CN(C2CCCCC2)CCC1)Cc1cnccc1)CN1CCN(CC1)CC
Canonical SMILES:
CCN1CCN(CC1)CC(=O)N(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1
InChI:
InChI=1S/C26H43N5O/c1-2-28-14-16-29(17-15-28)22-26(32)31(19-23-8-6-12-27-18-23)21-24-9-7-13-30(20-24)25-10-4-3-5-11-25/h6,8,12,18,24-25H,2-5,7,9-11,13-17,19-22H2,1H3
InChIKey:
OKZVOLOOZFOGIE-UHFFFAOYSA-N

Cite this record

CBID:321617 http://www.chembase.cn/molecule-321617.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
IUPAC Traditional name
N-[(1-cyclohexylpiperidin-3-yl)methyl]-2-(4-ethylpiperazin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
Synonyms
N-[(1-cyclohexyl-3-piperidinyl)methyl]-2-(4-ethyl-1-piperazinyl)-N-(3-pyridinylmethyl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11174636 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)
H Acceptors H Donor
LogD (pH = 5.5) -3.5358484  LogD (pH = 7.4) -0.83059186 
Log P 2.3475246  Molar Refractivity 132.1272 cm3
Polarizability 51.71557 Å3 Polar Surface Area 42.92 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.18  LOG S -0.5 
Polar Surface Area 42.92 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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