4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide

• ChemBase ID: 397175
• Molecular Formular: C23H32N4O4
• Molecular Mass: 428.52458
• Monoisotopic Mass: 428.24235552
• SMILES: c1(nonc1C)CN(C(=O)c1cc(c(OC2CCN(CC2)C2CCCC2)cc1)OC)C
• Canonical SMILES: COc1cc(ccc1OC1CCN(CC1)C1CCCC1)C(=O)N(Cc1nonc1C)C
• InChI: InChI=1S/C23H32N4O4/c1-16-20(25-31-24-16)15-26(2)23(28)17-8-9-21(22(14-17)29-3)30-19-10-12-27(13-11-19)18-6-4-5-7-18/h8-9,14,18-19H,4-7,10-13,15H2,1-3H3
• InChIKey: VSCBJYBHHXKSQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide
• IUPAC Traditional name: 4-[(1-cyclopentylpiperidin-4-yl)oxy]-3-methoxy-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide
• Synonyms: 4-[(1-cyclopentyl-4-piperidinyl)oxy]-3-methoxy-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -1.49911
• LogD (pH = 7.4): -0.15187386
• Log P: 1.8635641
• Molar Refractivity: 118.773 cm^3
• Polarizability: 45.022507 Å^3
• Polar Surface Area: 80.93 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.2
• LOG S: -2.9
• Polar Surface Area: 80.93 Å^2
• Rotatable Bonds: 6