4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(oxan-2-ylmethyl)benzamide

• ChemBase ID: 318447
• Molecular Formular: C22H30N2O4
• Molecular Mass: 386.4846
• Monoisotopic Mass: 386.22055745
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCC2OCCCC2)cc1)C1CC1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)NCC1CCCCO1)C1CC1
• InChI: InChI=1S/C22H30N2O4/c25-21(23-15-20-3-1-2-14-27-20)16-6-8-18(9-7-16)28-19-10-12-24(13-11-19)22(26)17-4-5-17/h6-9,17,19-20H,1-5,10-15H2,(H,23,25)
• InChIKey: NGIADQASJLGYTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(oxan-2-ylmethyl)benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(oxan-2-ylmethyl)benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)piperidin-4-yl]oxy}-N-(tetrahydro-2H-pyran-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.028496
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7865448
• LogD (pH = 7.4): 1.7865453
• Log P: 1.7865453
• Molar Refractivity: 106.4735 cm^3
• Polarizability: 41.191113 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.75
• LOG S: -3.51
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 6