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N-[(3-methoxyphenyl)methyl]-N-methyl-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide

ChemBase ID: 340348
Molecular Formular: C27H31N3O3
Molecular Mass: 445.55334
Monoisotopic Mass: 445.23654187
SMILES and InChIs

SMILES:
C(=O)(N(Cc1cc(OC)ccc1)C)c1ccc(OC2CCN(Cc3ncccc3)CC2)cc1
Canonical SMILES:
COc1cccc(c1)CN(C(=O)c1ccc(cc1)OC1CCN(CC1)Cc1ccccn1)C
InChI:
InChI=1S/C27H31N3O3/c1-29(19-21-6-5-8-26(18-21)32-2)27(31)22-9-11-24(12-10-22)33-25-13-16-30(17-14-25)20-23-7-3-4-15-28-23/h3-12,15,18,25H,13-14,16-17,19-20H2,1-2H3
InChIKey:
DMXMHSSZNGVPRU-UHFFFAOYSA-N

Cite this record

CBID:340348 http://www.chembase.cn/molecule-340348.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(3-methoxyphenyl)methyl]-N-methyl-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
IUPAC Traditional name
N-[(3-methoxyphenyl)methyl]-N-methyl-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
Synonyms
N-(3-methoxybenzyl)-N-methyl-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13860790 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) 1.6337469  LogD (pH = 7.4) 3.098482 
Log P 3.2954476  Molar Refractivity 129.8534 cm3
Polarizability 50.17138 Å3 Polar Surface Area 54.9 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.28  LOG S -4.21 
Polar Surface Area 54.9 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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