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

• ChemBase ID: 565813
• Molecular Formular: C25H32N2O2
• Molecular Mass: 392.53378
• Monoisotopic Mass: 392.24637827
• SMILES: N1(C2Cc3c(C2)cccc3)CC(N(C(=O)CCc2cc(OC)ccc2)C)CCC1
• Canonical SMILES: COc1cccc(c1)CCC(=O)N(C1CCCN(C1)C1Cc2c(C1)cccc2)C
• InChI: InChI=1S/C25H32N2O2/c1-26(25(28)13-12-19-7-5-11-24(15-19)29-2)22-10-6-14-27(18-22)23-16-20-8-3-4-9-21(20)17-23/h3-5,7-9,11,15,22-23H,6,10,12-14,16-18H2,1-2H3
• InChIKey: GPJOKKJLYUTGFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.9630333
• LogD (pH = 7.4): 2.5813136
• Log P: 4.1353
• Molar Refractivity: 117.6231 cm^3
• Polarizability: 45.677452 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.27
• LOG S: -4.21
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5