1-cyclobutanecarbonyl-N-(1H-indol-6-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 726403
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: N1(C(=O)C2CCC2)CCC(C(=O)NCc2cc3[nH]ccc3cc2)CC1
• Canonical SMILES: O=C(C1CCN(CC1)C(=O)C1CCC1)NCc1ccc2c(c1)[nH]cc2
• InChI: InChI=1S/C20H25N3O2/c24-19(22-13-14-4-5-15-6-9-21-18(15)12-14)16-7-10-23(11-8-16)20(25)17-2-1-3-17/h4-6,9,12,16-17,21H,1-3,7-8,10-11,13H2,(H,22,24)
• InChIKey: IMJIOZUSCHHPPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutanecarbonyl-N-(1H-indol-6-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-cyclobutanecarbonyl-N-(1H-indol-6-ylmethyl)piperidine-4-carboxamide
• Synonyms: 1-(cyclobutylcarbonyl)-N-(1H-indol-6-ylmethyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.651557
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9545074
• LogD (pH = 7.4): 1.954508
• Log P: 1.954508
• Molar Refractivity: 97.0594 cm^3
• Polarizability: 38.587303 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.6
• LOG S: -3.04
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 4