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N,N-dimethyl-4-oxo-4-{3-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}butanamide
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ChemBase ID:
370134
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Molecular Formular:
C20H27N5O2
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Molecular Mass:
369.46068
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Monoisotopic Mass:
369.21647513
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SMILES and InChIs
SMILES:
c1(n(ccn1)Cc1ncccc1)C1CN(C(=O)CCC(=O)N(C)C)CCC1
Canonical SMILES:
O=C(N(C)C)CCC(=O)N1CCCC(C1)c1nccn1Cc1ccccn1
InChI:
InChI=1S/C20H27N5O2/c1-23(2)18(26)8-9-19(27)24-12-5-6-16(14-24)20-22-11-13-25(20)15-17-7-3-4-10-21-17/h3-4,7,10-11,13,16H,5-6,8-9,12,14-15H2,1-2H3
InChIKey:
HXEQKEJLPPEMSF-UHFFFAOYSA-N
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Cite this record
CBID:370134 http://www.chembase.cn/molecule-370134.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N,N-dimethyl-4-oxo-4-{3-[1-(pyridin-2-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}butanamide
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IUPAC Traditional name
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N,N-dimethyl-4-oxo-4-{3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl}butanamide
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Synonyms
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N,N-dimethyl-4-oxo-4-{3-[1-(2-pyridinylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}butanamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
H Acceptors
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4
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H Donor
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0
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LogD (pH = 5.5)
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-0.6156697
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LogD (pH = 7.4)
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0.09715186
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Log P
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0.124489054
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Molar Refractivity
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102.6361 cm3
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Polarizability
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39.554264 Å3
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Polar Surface Area
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71.33 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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H Acceptors
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4
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H Donor
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0
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Log P
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-0.45
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LOG S
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-1.52
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Polar Surface Area
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71.33 Å2
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Rotatable Bonds
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6
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent