-
N-[(1-cyclohexylpiperidin-3-yl)methyl]-1-phenyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
-
ChemBase ID:
370615
-
Molecular Formular:
C28H37N3O
-
Molecular Mass:
431.61288
-
Monoisotopic Mass:
431.29366282
-
SMILES and InChIs
SMILES:
C1(C(=O)N(CC2CN(C3CCCCC3)CCC2)Cc2cnccc2)(CC1)c1ccccc1
Canonical SMILES:
O=C(C1(CC1)c1ccccc1)N(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1
InChI:
InChI=1S/C28H37N3O/c32-27(28(15-16-28)25-11-3-1-4-12-25)31(20-23-9-7-17-29-19-23)22-24-10-8-18-30(21-24)26-13-5-2-6-14-26/h1,3-4,7,9,11-12,17,19,24,26H,2,5-6,8,10,13-16,18,20-22H2
InChIKey:
SRDTXHUMIONURP-UHFFFAOYSA-N
-
Cite this record
CBID:370615 http://www.chembase.cn/molecule-370615.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
N-[(1-cyclohexylpiperidin-3-yl)methyl]-1-phenyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
|
|
|
IUPAC Traditional name
|
N-[(1-cyclohexylpiperidin-3-yl)methyl]-1-phenyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
|
|
|
Synonyms
|
N-[(1-cyclohexyl-3-piperidinyl)methyl]-1-phenyl-N-(3-pyridinylmethyl)cyclopropanecarboxamide
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
|
3
|
H Donor
|
0
|
LogD (pH = 5.5)
|
1.1952249
|
LogD (pH = 7.4)
|
2.154112
|
Log P
|
4.721713
|
Molar Refractivity
|
129.8947 cm3
|
Polarizability
|
50.905632 Å3
|
Polar Surface Area
|
36.44 Å2
|
Rotatable Bonds
|
7
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
3
|
H Donor
|
0
|
Log P
|
3.95
|
LOG S
|
-4.6
|
Polar Surface Area
|
36.44 Å2
|
Rotatable Bonds
|
7
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent