N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-phenylcyclohexane-1-carboxamide

• ChemBase ID: 474202
• Molecular Formular: C24H37N3O
• Molecular Mass: 383.57008
• Monoisotopic Mass: 383.29366282
• SMILES: C(=O)(C1(c2ccccc2)CCCCC1)NC1CN(C2CCN(CC2)C)CCC1
• Canonical SMILES: CN1CCC(CC1)N1CCCC(C1)NC(=O)C1(CCCCC1)c1ccccc1
• InChI: InChI=1S/C24H37N3O/c1-26-17-12-22(13-18-26)27-16-8-11-21(19-27)25-23(28)24(14-6-3-7-15-24)20-9-4-2-5-10-20/h2,4-5,9-10,21-22H,3,6-8,11-19H2,1H3,(H,25,28)
• InChIKey: DRIWYXHRZSGCCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-phenylcyclohexane-1-carboxamide
• IUPAC Traditional name: N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1-phenylcyclohexane-1-carboxamide
• Synonyms: N-(1'-methyl-1,4'-bipiperidin-3-yl)-1-phenylcyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.85781
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2319266
• LogD (pH = 7.4): 1.4422618
• Log P: 3.5077233
• Molar Refractivity: 115.8422 cm^3
• Polarizability: 45.57529 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.82
• LOG S: -3.52
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4