N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(1H-indol-3-yl)propanamide

• ChemBase ID: 386575
• Molecular Formular: C25H29N3O
• Molecular Mass: 387.51726
• Monoisotopic Mass: 387.23106256
• SMILES: N1(C2Cc3c(C2)cccc3)CC(NC(=O)CCc2c[nH]c3c2cccc3)CCC1
• Canonical SMILES: O=C(NC1CCCN(C1)C1Cc2c(C1)cccc2)CCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C25H29N3O/c29-25(12-11-20-16-26-24-10-4-3-9-23(20)24)27-21-8-5-13-28(17-21)22-14-18-6-1-2-7-19(18)15-22/h1-4,6-7,9-10,16,21-22,26H,5,8,11-15,17H2,(H,27,29)
• InChIKey: SDWWYBBKBLEZPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.76699
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1017723
• LogD (pH = 7.4): 2.788214
• Log P: 4.168057
• Molar Refractivity: 117.3497 cm^3
• Polarizability: 46.570354 Å^3
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.96
• LOG S: -5.38
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 5