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

• ChemBase ID: 594410
• Molecular Formular: C24H29FN2O
• Molecular Mass: 380.4982632
• Monoisotopic Mass: 380.22639178
• SMILES: N1(C2Cc3c(C2)cccc3)CC(N(C(=O)CCc2ccc(F)cc2)C)CCC1
• Canonical SMILES: Fc1ccc(cc1)CCC(=O)N(C1CCCN(C1)C1Cc2c(C1)cccc2)C
• InChI: InChI=1S/C24H29FN2O/c1-26(24(28)13-10-18-8-11-21(25)12-9-18)22-7-4-14-27(17-22)23-15-19-5-2-3-6-20(19)16-23/h2-3,5-6,8-9,11-12,22-23H,4,7,10,13-17H2,1H3
• InChIKey: FCPDNJXZCOATLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2634065
• LogD (pH = 7.4): 2.881687
• Log P: 4.435673
• Molar Refractivity: 111.3763 cm^3
• Polarizability: 42.792286 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.5
• LOG S: -4.81
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5