1-(1-cyclopropanecarbonylpiperidin-4-yl)-3-(4-methylpiperidine-1-carbonyl)piperidine

• ChemBase ID: 422037
• Molecular Formular: C21H35N3O2
• Molecular Mass: 361.5215
• Monoisotopic Mass: 361.27292738
• SMILES: C(=O)(C1CN(C2CCN(C(=O)C3CC3)CC2)CCC1)N1CCC(CC1)C
• Canonical SMILES: CC1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C21H35N3O2/c1-16-6-11-22(12-7-16)21(26)18-3-2-10-24(15-18)19-8-13-23(14-9-19)20(25)17-4-5-17/h16-19H,2-15H2,1H3
• InChIKey: AEYOYGIULHZNPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-3-(4-methylpiperidine-1-carbonyl)piperidine
• IUPAC Traditional name: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-3-(4-methylpiperidine-1-carbonyl)piperidine
• Synonyms: 1'-(cyclopropylcarbonyl)-3-[(4-methyl-1-piperidinyl)carbonyl]-1,4'-bipiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1516104
• LogD (pH = 7.4): -0.85731775
• Log P: 1.230479
• Molar Refractivity: 103.6437 cm^3
• Polarizability: 40.43592 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.68
• LOG S: -2.0
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3