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

• ChemBase ID: 539890
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: C(=O)(N1CCC(c2n(ccn2)Cc2ncccc2)CC1)N1CCOCC1
• Canonical SMILES: O=C(N1CCOCC1)N1CCC(CC1)c1nccn1Cc1ccccn1
• InChI: InChI=1S/C19H25N5O2/c25-19(23-11-13-26-14-12-23)22-8-4-16(5-9-22)18-21-7-10-24(18)15-17-3-1-2-6-20-17/h1-3,6-7,10,16H,4-5,8-9,11-15H2
• InChIKey: SCIFNSBNSNUGNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.3555381
• LogD (pH = 7.4): 0.36971426
• Log P: 0.39861548
• Molar Refractivity: 97.8258 cm^3
• Polarizability: 37.609837 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: 0.08
• LOG S: -1.87
• Polar Surface Area: 63.49 Å^2
• Rotatable Bonds: 3