4-{3-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}morpholine

• ChemBase ID: 610393
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: C(=O)(N1CC(c2n(Cc3cnccc3)ccn2)CCC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCCC(C1)c1nccn1Cc1cccnc1
• InChI: InChI=1S/C19H25N5O2/c25-19(22-9-11-26-12-10-22)24-7-2-4-17(15-24)18-21-6-8-23(18)14-16-3-1-5-20-13-16/h1,3,5-6,8,13,17H,2,4,7,9-12,14-15H2
• InChIKey: CTTWATDEMGJJDA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[1-(pyridin-3-ylmethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}morpholine
• IUPAC Traditional name: 4-{3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl}morpholine
• Synonyms: 4-({3-[1-(3-pyridinylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}carbonyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.34176186
• LogD (pH = 7.4): 0.44382167
• Log P: 0.47305104
• Molar Refractivity: 98.194 cm^3
• Polarizability: 37.608883 Å^3
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.12
• LOG S: -1.9
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 3