3-(1H-1,3-benzodiazol-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide

• ChemBase ID: 745515
• Molecular Formular: C24H30N4O
• Molecular Mass: 390.5212
• Monoisotopic Mass: 390.2419616
• SMILES: n1cn(c2c1cccc2)CCC(=O)NC1CN(CCCc2ccccc2)CCC1
• Canonical SMILES: O=C(NC1CCCN(C1)CCCc1ccccc1)CCn1cnc2c1cccc2
• InChI: InChI=1S/C24H30N4O/c29-24(14-17-28-19-25-22-12-4-5-13-23(22)28)26-21-11-7-16-27(18-21)15-6-10-20-8-2-1-3-9-20/h1-5,8-9,12-13,19,21H,6-7,10-11,14-18H2,(H,26,29)
• InChIKey: CQPXSUAHXDLYTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1H-1,3-benzodiazol-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: 3-(1,3-benzodiazol-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
• Synonyms: 3-(1H-benzimidazol-1-yl)-N-[1-(3-phenylpropyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.833741
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.25087023
• LogD (pH = 7.4): 2.2634697
• Log P: 3.5568216
• Molar Refractivity: 116.567 cm^3
• Polarizability: 46.475918 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.21
• LOG S: -4.85
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 8