N-{3-[3-(3-methoxypropyl)piperidine-1-carbonyl]phenyl}butanamide

• ChemBase ID: 719835
• Molecular Formular: C20H30N2O3
• Molecular Mass: 346.4638
• Monoisotopic Mass: 346.22564283
• SMILES: N1(C(=O)c2cc(NC(=O)CCC)ccc2)CC(CCC1)CCCOC
• Canonical SMILES: CCCC(=O)Nc1cccc(c1)C(=O)N1CCCC(C1)CCCOC
• InChI: InChI=1S/C20H30N2O3/c1-3-7-19(23)21-18-11-4-10-17(14-18)20(24)22-12-5-8-16(15-22)9-6-13-25-2/h4,10-11,14,16H,3,5-9,12-13,15H2,1-2H3,(H,21,23)
• InChIKey: BFDAJBIUTBOJRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[3-(3-methoxypropyl)piperidine-1-carbonyl]phenyl}butanamide
• IUPAC Traditional name: N-{3-[3-(3-methoxypropyl)piperidine-1-carbonyl]phenyl}butanamide
• Synonyms: N-(3-{[3-(3-methoxypropyl)piperidin-1-yl]carbonyl}phenyl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.827408
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.964977
• LogD (pH = 7.4): 2.964977
• Log P: 2.9649773
• Molar Refractivity: 101.5162 cm^3
• Polarizability: 38.259743 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.51
• LOG S: -3.87
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8