N-cyclopropyl-1-[1-(1H-indole-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide

• ChemBase ID: 652252
• Molecular Formular: C23H30N4O2
• Molecular Mass: 394.5099
• Monoisotopic Mass: 394.23687622
• SMILES: C(=O)(N1CCC(N2CC(C(=O)NC3CC3)CCC2)CC1)c1cc2[nH]ccc2cc1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C(=O)c1ccc2c(c1)[nH]cc2)NC1CC1
• InChI: InChI=1S/C23H30N4O2/c28-22(25-19-5-6-19)18-2-1-11-27(15-18)20-8-12-26(13-9-20)23(29)17-4-3-16-7-10-24-21(16)14-17/h3-4,7,10,14,18-20,24H,1-2,5-6,8-9,11-13,15H2,(H,25,28)
• InChIKey: OUAUUPVWFLCTSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[1-(1H-indole-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[1-(1H-indole-6-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1'-(1H-indol-6-ylcarbonyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.94885
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8560205
• LogD (pH = 7.4): -0.51248616
• Log P: 1.5081224
• Molar Refractivity: 113.6254 cm^3
• Polarizability: 44.699017 Å^3
• Polar Surface Area: 68.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.59
• LOG S: -2.58
• Polar Surface Area: 68.44 Å^2
• Rotatable Bonds: 4