3-({2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}methyl)pyridine

• ChemBase ID: 717027
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: C(=O)(N1CC(c2n(Cc3cnccc3)ccn2)CCC1)N1CCCC1
• Canonical SMILES: O=C(N1CCCC1)N1CCCC(C1)c1nccn1Cc1cccnc1
• InChI: InChI=1S/C19H25N5O/c25-19(22-9-1-2-10-22)24-11-4-6-17(15-24)18-21-8-12-23(18)14-16-5-3-7-20-13-16/h3,5,7-8,12-13,17H,1-2,4,6,9-11,14-15H2
• InChIKey: UZTGQRDDMNZPPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-1H-imidazol-1-yl}methyl)pyridine
• IUPAC Traditional name: 3-({2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]imidazol-1-yl}methyl)pyridine
• Synonyms: 3-({2-[1-(1-pyrrolidinylcarbonyl)-3-piperidinyl]-1H-imidazol-1-yl}methyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.28253597
• LogD (pH = 7.4): 1.0681196
• Log P: 1.0973489
• Molar Refractivity: 96.6605 cm^3
• Polarizability: 36.901966 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.1
• LOG S: -1.31
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 3