2-(1H-indol-3-yl)-N-{2-[1-(propan-2-yl)piperidin-3-yl]ethyl}acetamide

• ChemBase ID: 766671
• Molecular Formular: C20H29N3O
• Molecular Mass: 327.46376
• Monoisotopic Mass: 327.23106256
• SMILES: c1(c[nH]c2c1cccc2)CC(=O)NCCC1CN(C(C)C)CCC1
• Canonical SMILES: O=C(Cc1c[nH]c2c1cccc2)NCCC1CCCN(C1)C(C)C
• InChI: InChI=1S/C20H29N3O/c1-15(2)23-11-5-6-16(14-23)9-10-21-20(24)12-17-13-22-19-8-4-3-7-18(17)19/h3-4,7-8,13,15-16,22H,5-6,9-12,14H2,1-2H3,(H,21,24)
• InChIKey: BUEDIQQIVWFUCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-indol-3-yl)-N-{2-[1-(propan-2-yl)piperidin-3-yl]ethyl}acetamide
• IUPAC Traditional name: 2-(1H-indol-3-yl)-N-[2-(1-isopropylpiperidin-3-yl)ethyl]acetamide
• Synonyms: 2-(1H-indol-3-yl)-N-[2-(1-isopropylpiperidin-3-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.829609
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.6254425
• LogD (pH = 7.4): 0.3067065
• Log P: 2.8318481
• Molar Refractivity: 99.2085 cm^3
• Polarizability: 39.684414 Å^3
• Polar Surface Area: 48.13 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 2
• H Donor: 2
• Log P: 2.57
• LOG S: -3.78
• Polar Surface Area: 48.13 Å^2