N-benzyl-3-[(1-cyclopentanecarbonylpiperidin-4-yl)oxy]benzamide

• ChemBase ID: 825201
• Molecular Formular: C25H30N2O3
• Molecular Mass: 406.5173
• Monoisotopic Mass: 406.22564283
• SMILES: N1(C(=O)C2CCCC2)CCC(Oc2cc(C(=O)NCc3ccccc3)ccc2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1cccc(c1)C(=O)NCc1ccccc1)C1CCCC1
• InChI: InChI=1S/C25H30N2O3/c28-24(26-18-19-7-2-1-3-8-19)21-11-6-12-23(17-21)30-22-13-15-27(16-14-22)25(29)20-9-4-5-10-20/h1-3,6-8,11-12,17,20,22H,4-5,9-10,13-16,18H2,(H,26,28)
• InChIKey: LSYLFODZWBLXTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-[(1-cyclopentanecarbonylpiperidin-4-yl)oxy]benzamide
• IUPAC Traditional name: N-benzyl-3-[(1-cyclopentanecarbonylpiperidin-4-yl)oxy]benzamide
• Synonyms: N-benzyl-3-{[1-(cyclopentylcarbonyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.574628
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.536997
• LogD (pH = 7.4): 3.536998
• Log P: 3.536998
• Molar Refractivity: 117.4324 cm^3
• Polarizability: 45.27657 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.16
• LOG S: -5.8
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6