N-cycloheptyl-1-(1-cyclopropanecarbonylpiperidin-4-yl)piperidine-3-carboxamide

• ChemBase ID: 358307
• Molecular Formular: C22H37N3O2
• Molecular Mass: 375.54808
• Monoisotopic Mass: 375.28857744
• SMILES: C(=O)(N1CCC(N2CC(C(=O)NC3CCCCCC3)CCC2)CC1)C1CC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1)NC1CCCCCC1
• InChI: InChI=1S/C22H37N3O2/c26-21(23-19-7-3-1-2-4-8-19)18-6-5-13-25(16-18)20-11-14-24(15-12-20)22(27)17-9-10-17/h17-20H,1-16H2,(H,23,26)
• InChIKey: STTNIRJWNFKGEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.798531
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2576694
• LogD (pH = 7.4): 0.06815896
• Log P: 2.113257
• Molar Refractivity: 107.6716 cm^3
• Polarizability: 42.276676 Å^3
• Polar Surface Area: 52.65 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: 1.49
• LOG S: -3.33
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 4