N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide

• ChemBase ID: 203506
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: C(=O)(C1C(=O)NCCC1)NC(Cc1c[nH]c2c1cccc2)C
• Canonical SMILES: CC(Cc1c[nH]c2c1cccc2)NC(=O)C1CCCNC1=O
• InChI: InChI=1S/C17H21N3O2/c1-11(20-17(22)14-6-4-8-18-16(14)21)9-12-10-19-15-7-3-2-5-13(12)15/h2-3,5,7,10-11,14,19H,4,6,8-9H2,1H3,(H,18,21)(H,20,22)
• InChIKey: MZURRFOUDOALSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide
• IUPAC Traditional name: N-[1-(1H-indol-3-yl)propan-2-yl]-2-oxopiperidine-3-carboxamide

Database IDs

• PubChem SID: 164259416
• PubChem CID: 3137656

CALCULATED PROPERTIES

• Acid pKa: 13.376634
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 1.5448431
• LogD (pH = 7.4): 1.5448426
• Log P: 1.5448431
• Molar Refractivity: 84.7424 cm^3
• Polarizability: 33.79106 Å^3
• Polar Surface Area: 73.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds