N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-4-(4-fluorophenyl)butanamide

• ChemBase ID: 463168
• Molecular Formular: C24H29FN2O
• Molecular Mass: 380.4982632
• Monoisotopic Mass: 380.22639178
• SMILES: N1(C2Cc3c(C2)cccc3)CC(NC(=O)CCCc2ccc(F)cc2)CCC1
• Canonical SMILES: O=C(NC1CCCN(C1)C1Cc2c(C1)cccc2)CCCc1ccc(cc1)F
• InChI: InChI=1S/C24H29FN2O/c25-21-12-10-18(11-13-21)5-3-9-24(28)26-22-8-4-14-27(17-22)23-15-19-6-1-2-7-20(19)16-23/h1-2,6-7,10-13,22-23H,3-5,8-9,14-17H2,(H,26,28)
• InChIKey: IALAQHYXQNAIPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-4-(4-fluorophenyl)butanamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-4-(4-fluorophenyl)butanamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-4-(4-fluorophenyl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.2689905
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5902815
• LogD (pH = 7.4): 3.2767224
• Log P: 4.6565657
• Molar Refractivity: 111.0806 cm^3
• Polarizability: 42.79235 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.49
• LOG S: -5.6
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6