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N-methyl-1-[3-(morpholin-4-yl)benzoyl]-N-(2-phenylethyl)piperidin-3-amine

ChemBase ID: 370787
Molecular Formular: C25H33N3O2
Molecular Mass: 407.54842
Monoisotopic Mass: 407.25727731
SMILES and InChIs

SMILES:
N1(C(=O)c2cc(N3CCOCC3)ccc2)CC(N(CCc2ccccc2)C)CCC1
Canonical SMILES:
CN(C1CCCN(C1)C(=O)c1cccc(c1)N1CCOCC1)CCc1ccccc1
InChI:
InChI=1S/C25H33N3O2/c1-26(14-12-21-7-3-2-4-8-21)24-11-6-13-28(20-24)25(29)22-9-5-10-23(19-22)27-15-17-30-18-16-27/h2-5,7-10,19,24H,6,11-18,20H2,1H3
InChIKey:
UPRWDFFFWPSTNP-UHFFFAOYSA-N

Cite this record

CBID:370787 http://www.chembase.cn/molecule-370787.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-1-[3-(morpholin-4-yl)benzoyl]-N-(2-phenylethyl)piperidin-3-amine
IUPAC Traditional name
N-methyl-1-[3-(morpholin-4-yl)benzoyl]-N-(2-phenylethyl)piperidin-3-amine
Synonyms
N-methyl-1-[3-(4-morpholinyl)benzoyl]-N-(2-phenylethyl)-3-piperidinamine

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)
H Acceptors H Donor
LogD (pH = 5.5) 0.46963835  LogD (pH = 7.4) 2.0742657 
Log P 3.658125  Molar Refractivity 123.0308 cm3
Polarizability 46.683582 Å3 Polar Surface Area 36.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.92  LOG S -3.68 
Polar Surface Area 36.02 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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