N-cyclopropyl-1-ethyl-N-(1H-indol-5-ylmethyl)piperidine-2-carboxamide

• ChemBase ID: 663452
• Molecular Formular: C20H27N3O
• Molecular Mass: 325.44788
• Monoisotopic Mass: 325.2154125
• SMILES: C(=O)(N(C1CC1)Cc1cc2c([nH]cc2)cc1)C1N(CC)CCCC1
• Canonical SMILES: CCN1CCCCC1C(=O)N(C1CC1)Cc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C20H27N3O/c1-2-22-12-4-3-5-19(22)20(24)23(17-7-8-17)14-15-6-9-18-16(13-15)10-11-21-18/h6,9-11,13,17,19,21H,2-5,7-8,12,14H2,1H3
• InChIKey: IYMKUHQLXYVTSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-ethyl-N-(1H-indol-5-ylmethyl)piperidine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-ethyl-N-(1H-indol-5-ylmethyl)piperidine-2-carboxamide
• Synonyms: N-cyclopropyl-1-ethyl-N-(1H-indol-5-ylmethyl)piperidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.408278
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.42695847
• LogD (pH = 7.4): 2.2002697
• Log P: 3.0164924
• Molar Refractivity: 97.2345 cm^3
• Polarizability: 38.942898 Å^3
• Polar Surface Area: 39.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.58
• LOG S: -3.78
• Polar Surface Area: 39.34 Å^2
• Rotatable Bonds: 5