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4-({1-[(2E)-4-methylpent-2-en-1-yl]piperidin-4-yl}oxy)-N-(pyridin-2-ylmethyl)benzamide

ChemBase ID: 323480
Molecular Formular: C24H31N3O2
Molecular Mass: 393.52184
Monoisotopic Mass: 393.24162725
SMILES and InChIs

SMILES:
C(=O)(NCc1ncccc1)c1ccc(OC2CCN(CC2)C/C=C/C(C)C)cc1
Canonical SMILES:
CC(/C=C/CN1CCC(CC1)Oc1ccc(cc1)C(=O)NCc1ccccn1)C
InChI:
InChI=1S/C24H31N3O2/c1-19(2)6-5-15-27-16-12-23(13-17-27)29-22-10-8-20(9-11-22)24(28)26-18-21-7-3-4-14-25-21/h3-11,14,19,23H,12-13,15-18H2,1-2H3,(H,26,28)/b6-5+
InChIKey:
ZUBVVRAFKJJFJE-AATRIKPKSA-N

Cite this record

CBID:323480 http://www.chembase.cn/molecule-323480.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-({1-[(2E)-4-methylpent-2-en-1-yl]piperidin-4-yl}oxy)-N-(pyridin-2-ylmethyl)benzamide
IUPAC Traditional name
4-({1-[(2E)-4-methylpent-2-en-1-yl]piperidin-4-yl}oxy)-N-(pyridin-2-ylmethyl)benzamide
Synonyms
4-({1-[(2E)-4-methyl-2-penten-1-yl]-4-piperidinyl}oxy)-N-(2-pyridinylmethyl)benzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11439927 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.896722  H Acceptors
H Donor LogD (pH = 5.5) 0.5677283 
LogD (pH = 7.4) 2.3530629  Log P 3.3544421 
Molar Refractivity 117.8667 cm3 Polarizability 45.193127 Å3
Polar Surface Area 54.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.82  LOG S -5.64 
Polar Surface Area 54.46 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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