1-cyclopentanecarbonyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide

• ChemBase ID: 759998
• Molecular Formular: C26H29N3O2
• Molecular Mass: 415.52736
• Monoisotopic Mass: 415.22597718
• SMILES: c1([nH]c2c(c1)cccc2)c1cc(NC(=O)C2CN(C(=O)C3CCCC3)CCC2)ccc1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)C1CCCC1)Nc1cccc(c1)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C26H29N3O2/c30-25(21-11-6-14-29(17-21)26(31)18-7-1-2-8-18)27-22-12-5-10-19(15-22)24-16-20-9-3-4-13-23(20)28-24/h3-5,9-10,12-13,15-16,18,21,28H,1-2,6-8,11,14,17H2,(H,27,30)
• InChIKey: OWHKFZMIAZLOBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentanecarbonyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentanecarbonyl-N-[3-(1H-indol-2-yl)phenyl]piperidine-3-carboxamide
• Synonyms: 1-(cyclopentylcarbonyl)-N-[3-(1H-indol-2-yl)phenyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Log P: 4.4153056
• Molar Refractivity: 123.4659 cm^3
• Polarizability: 49.58054 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.760926
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.415305
• LogD (pH = 7.4): 4.4153056

供应商提供(Chembridge)

• Log P: 4.55
• LOG S: -6.63
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 2