N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide

• ChemBase ID: 743280
• Molecular Formular: C24H34N4O
• Molecular Mass: 394.55296
• Monoisotopic Mass: 394.27326173
• SMILES: [nH]1c2c(c3c1ccc(C(=O)NC1CN(C4CCN(CC4)C)CCC1)c3)CCCC2
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)NC(=O)c1ccc2c(c1)c1CCCCc1[nH]2
• InChI: InChI=1S/C24H34N4O/c1-27-13-10-19(11-14-27)28-12-4-5-18(16-28)25-24(29)17-8-9-23-21(15-17)20-6-2-3-7-22(20)26-23/h8-9,15,18-19,26H,2-7,10-14,16H2,1H3,(H,25,29)
• InChIKey: DTAJSLSIEQPREP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide
• IUPAC Traditional name: N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
• Synonyms: N-(1'-methyl-1,4'-bipiperidin-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.048386
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.8371289
• LogD (pH = 7.4): 0.8271575
• Log P: 2.8736873
• Molar Refractivity: 119.3147 cm^3
• Polarizability: 46.727966 Å^3
• Polar Surface Area: 51.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.56
• LOG S: -4.49
• Polar Surface Area: 51.37 Å^2
• Rotatable Bonds: 3