1-(cyclohexylmethyl)-N-[3-(1H-indol-1-yl)propyl]-6-oxopiperidine-3-carboxamide

• ChemBase ID: 551229
• Molecular Formular: C24H33N3O2
• Molecular Mass: 395.53772
• Monoisotopic Mass: 395.25727731
• SMILES: N1(C(=O)CCC(C1)C(=O)NCCCn1ccc2c1cccc2)CC1CCCCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CC1CCCCC1)NCCCn1ccc2c1cccc2
• InChI: InChI=1S/C24H33N3O2/c28-23-12-11-21(18-27(23)17-19-7-2-1-3-8-19)24(29)25-14-6-15-26-16-13-20-9-4-5-10-22(20)26/h4-5,9-10,13,16,19,21H,1-3,6-8,11-12,14-15,17-18H2,(H,25,29)
• InChIKey: RNBJVFCGFQJWFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N-[3-(1H-indol-1-yl)propyl]-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N-[3-(indol-1-yl)propyl]-6-oxopiperidine-3-carboxamide
• Synonyms: 1-(cyclohexylmethyl)-N-[3-(1H-indol-1-yl)propyl]-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.04343
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1824224
• LogD (pH = 7.4): 3.1824229
• Log P: 3.1824229
• Molar Refractivity: 115.243 cm^3
• Polarizability: 45.968094 Å^3
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.44
• LOG S: -5.41
• Polar Surface Area: 54.34 Å^2
• Rotatable Bonds: 7