4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

• ChemBase ID: 522924
• Molecular Formular: C26H30N2O3
• Molecular Mass: 418.528
• Monoisotopic Mass: 418.22564283
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NC2c3c(CCC2)cccc3)cc1)C1CC1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1CCCc2c1cccc2)C1CC1
• InChI: InChI=1S/C26H30N2O3/c29-25(27-24-7-3-5-18-4-1-2-6-23(18)24)19-10-12-21(13-11-19)31-22-14-16-28(17-15-22)26(30)20-8-9-20/h1-2,4,6,10-13,20,22,24H,3,5,7-9,14-17H2,(H,27,29)
• InChIKey: DEUJBOCJOVZUKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-(1,2,3,4-tetrahydro-1-naphthalenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.138024
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6366532
• LogD (pH = 7.4): 3.6366537
• Log P: 3.6366537
• Molar Refractivity: 120.4122 cm^3
• Polarizability: 46.31004 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.02
• LOG S: -5.96
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5