N-[3-(cyclopentyloxy)propyl]-3-(piperidin-3-yl)benzamide

• ChemBase ID: 648098
• Molecular Formular: C20H30N2O2
• Molecular Mass: 330.4644
• Monoisotopic Mass: 330.23072821
• SMILES: C(=O)(c1cc(C2CNCCC2)ccc1)NCCCOC1CCCC1
• Canonical SMILES: O=C(c1cccc(c1)C1CCCNC1)NCCCOC1CCCC1
• InChI: InChI=1S/C20H30N2O2/c23-20(22-12-5-13-24-19-9-1-2-10-19)17-7-3-6-16(14-17)18-8-4-11-21-15-18/h3,6-7,14,18-19,21H,1-2,4-5,8-13,15H2,(H,22,23)
• InChIKey: BUJLOIHFRCSJDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-3-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-3-(piperidin-3-yl)benzamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]-3-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.013304
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.6178884
• LogD (pH = 7.4): 0.12424018
• Log P: 2.5982668
• Molar Refractivity: 97.6992 cm^3
• Polarizability: 37.78256 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.91
• LOG S: -4.09
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7