1-(cyclopropylmethyl)-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide

• ChemBase ID: 570552
• Molecular Formular: C24H27N3O
• Molecular Mass: 373.49068
• Monoisotopic Mass: 373.2154125
• SMILES: c1([nH]c2c(c1)cccc2)c1ccc(NC(=O)C2CCN(CC3CC3)CC2)cc1
• Canonical SMILES: O=C(C1CCN(CC1)CC1CC1)Nc1ccc(cc1)c1cc2c([nH]1)cccc2
• InChI: InChI=1S/C24H27N3O/c28-24(19-11-13-27(14-12-19)16-17-5-6-17)25-21-9-7-18(8-10-21)23-15-20-3-1-2-4-22(20)26-23/h1-4,7-10,15,17,19,26H,5-6,11-14,16H2,(H,25,28)
• InChIKey: ISBHDZPKFRHGPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-N-[4-(1H-indol-2-yl)phenyl]piperidine-4-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-N-[4-(1H-indol-2-yl)phenyl]-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.919133
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.73671514
• LogD (pH = 7.4): 1.945351
• Log P: 4.144148
• Molar Refractivity: 114.6895 cm^3
• Polarizability: 46.282 Å^3
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 4.11
• LOG S: -5.82
• Polar Surface Area: 48.13 Å^2
• Rotatable Bonds: 5