N-cyclopropyl-4-methoxy-2-({1-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]piperidin-4-yl}oxy)benzamide

• ChemBase ID: 716256
• Molecular Formular: C25H30N4O3
• Molecular Mass: 434.5307
• Monoisotopic Mass: 434.23179084
• SMILES: c1(nc2c(n1C)cccc2)CN1CCC(Oc2c(C(=O)NC3CC3)ccc(c2)OC)CC1
• Canonical SMILES: COc1ccc(c(c1)OC1CCN(CC1)Cc1nc2c(n1C)cccc2)C(=O)NC1CC1
• InChI: InChI=1S/C25H30N4O3/c1-28-22-6-4-3-5-21(22)27-24(28)16-29-13-11-18(12-14-29)32-23-15-19(31-2)9-10-20(23)25(30)26-17-7-8-17/h3-6,9-10,15,17-18H,7-8,11-14,16H2,1-2H3,(H,26,30)
• InChIKey: ZUTAVADPSFXHGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-methoxy-2-({1-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]piperidin-4-yl}oxy)benzamide
• IUPAC Traditional name: N-cyclopropyl-4-methoxy-2-({1-[(1-methyl-1,3-benzodiazol-2-yl)methyl]piperidin-4-yl}oxy)benzamide
• Synonyms: N-cyclopropyl-4-methoxy-2-({1-[(1-methyl-1H-benzimidazol-2-yl)methyl]-4-piperidinyl}oxy)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.335772
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9975347
• LogD (pH = 7.4): 2.3781369
• Log P: 2.532164
• Molar Refractivity: 123.3686 cm^3
• Polarizability: 48.668438 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.66
• LOG S: -5.18
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 6