2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

• ChemBase ID: 514114
• Molecular Formular: C25H37N3O4
• Molecular Mass: 443.57898
• Monoisotopic Mass: 443.27840668
• SMILES: c1(c(OC2CCN(CC2)C2CCCC2)ccc(c1)OC)C(=O)NCCCN1C(=O)CCC1
• Canonical SMILES: COc1ccc(c(c1)C(=O)NCCCN1CCCC1=O)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C25H37N3O4/c1-31-21-9-10-23(32-20-11-16-27(17-12-20)19-6-2-3-7-19)22(18-21)25(30)26-13-5-15-28-14-4-8-24(28)29/h9-10,18-20H,2-8,11-17H2,1H3,(H,26,30)
• InChIKey: BJMJUYPRTUZENF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
• IUPAC Traditional name: 2-[(1-cyclopentylpiperidin-4-yl)oxy]-5-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
• Synonyms: 2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-methoxy-N-[3-(2-oxo-1-pyrrolidinyl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.727982
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7267596
• LogD (pH = 7.4): -0.40652433
• Log P: 1.6462291
• Molar Refractivity: 124.8748 cm^3
• Polarizability: 48.219543 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.43
• LOG S: -3.94
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 8