-
N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-3-(pyridin-3-yl)propanamide
-
ChemBase ID:
321555
-
Molecular Formular:
C24H33N3O2
-
Molecular Mass:
395.53772
-
Monoisotopic Mass:
395.25727731
-
SMILES and InChIs
SMILES:
C(=O)(N(CC1CN(CCc2ccc(cc2)OC)CCC1)C)CCc1cnccc1
Canonical SMILES:
COc1ccc(cc1)CCN1CCCC(C1)CN(C(=O)CCc1cccnc1)C
InChI:
InChI=1S/C24H33N3O2/c1-26(24(28)12-9-21-5-3-14-25-17-21)18-22-6-4-15-27(19-22)16-13-20-7-10-23(29-2)11-8-20/h3,5,7-8,10-11,14,17,22H,4,6,9,12-13,15-16,18-19H2,1-2H3
InChIKey:
VFSPAKZUTTXMHE-UHFFFAOYSA-N
-
Cite this record
CBID:321555 http://www.chembase.cn/molecule-321555.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-3-(pyridin-3-yl)propanamide
|
|
|
IUPAC Traditional name
|
N-({1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl}methyl)-N-methyl-3-(pyridin-3-yl)propanamide
|
|
|
Synonyms
|
N-({1-[2-(4-methoxyphenyl)ethyl]-3-piperidinyl}methyl)-N-methyl-3-(3-pyridinyl)propanamide
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
|
4
|
H Donor
|
0
|
LogD (pH = 5.5)
|
-0.49328533
|
LogD (pH = 7.4)
|
1.1213975
|
Log P
|
2.8627264
|
Molar Refractivity
|
117.4264 cm3
|
Polarizability
|
45.576424 Å3
|
Polar Surface Area
|
45.67 Å2
|
Rotatable Bonds
|
9
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
4
|
H Donor
|
0
|
Log P
|
3.3
|
LOG S
|
-3.26
|
Polar Surface Area
|
45.67 Å2
|
Rotatable Bonds
|
8
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent