N-cyclohexyl-1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-methylpiperidine-3-carboxamide

• ChemBase ID: 510556
• Molecular Formular: C22H37N3O2
• Molecular Mass: 375.54808
• Monoisotopic Mass: 375.28857744
• SMILES: C(=O)(C1CN(C2CCN(C(=O)C3CC3)CC2)CCC1)N(C1CCCCC1)C
• Canonical SMILES: O=C(N(C1CCCCC1)C)C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C22H37N3O2/c1-23(19-7-3-2-4-8-19)21(26)18-6-5-13-25(16-18)20-11-14-24(15-12-20)22(27)17-9-10-17/h17-20H,2-16H2,1H3
• InChIKey: GSIVNAHWQJQXPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-methylpiperidine-3-carboxamide
• IUPAC Traditional name: N-cyclohexyl-1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-methylpiperidine-3-carboxamide
• Synonyms: N-cyclohexyl-1'-(cyclopropylcarbonyl)-N-methyl-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4897254
• LogD (pH = 7.4): -0.19543238
• Log P: 1.8923643
• Molar Refractivity: 107.9673 cm^3
• Polarizability: 42.276676 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.32
• LOG S: -2.21
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 4