N-[1-(2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-N-phenylpropanamide

• ChemBase ID: 650699
• Molecular Formular: C24H28N2O2
• Molecular Mass: 376.49132
• Monoisotopic Mass: 376.21507815
• SMILES: C(=O)(C1c2c(CC1)cccc2)N1CCC(N(C(=O)CC)c2ccccc2)CC1
• Canonical SMILES: CCC(=O)N(c1ccccc1)C1CCN(CC1)C(=O)C1CCc2c1cccc2
• InChI: InChI=1S/C24H28N2O2/c1-2-23(27)26(19-9-4-3-5-10-19)20-14-16-25(17-15-20)24(28)22-13-12-18-8-6-7-11-21(18)22/h3-11,20,22H,2,12-17H2,1H3
• InChIKey: BPLPRDXCJYLYLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-N-phenylpropanamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-indene-1-carbonyl)piperidin-4-yl]-N-phenylpropanamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-1-ylcarbonyl)piperidin-4-yl]-N-phenylpropanamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -5.03
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 0
• Log P: 3.61

JChem

• Molar Refractivity: 110.9215 cm^3
• Polarizability: 42.97142 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.45628
• LogD (pH = 7.4): 3.4562802
• Log P: 3.4562802