N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]cyclobutanecarboxamide

• ChemBase ID: 856358
• Molecular Formular: C23H41N3O
• Molecular Mass: 375.59114
• Monoisotopic Mass: 375.32496295
• SMILES: C(=O)(N(CC1CN(C2CCCC2)CCC1)CCN1CCCCC1)C1CCC1
• Canonical SMILES: O=C(N(CC1CCCN(C1)C1CCCC1)CCN1CCCCC1)C1CCC1
• InChI: InChI=1S/C23H41N3O/c27-23(21-9-6-10-21)26(17-16-24-13-4-1-5-14-24)19-20-8-7-15-25(18-20)22-11-2-3-12-22/h20-22H,1-19H2
• InChIKey: ONNXXNYBADSKCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]cyclobutanecarboxamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-3-yl)methyl]-N-[2-(piperidin-1-yl)ethyl]cyclobutanecarboxamide
• Synonyms: N-[(1-cyclopentyl-3-piperidinyl)methyl]-N-[2-(1-piperidinyl)ethyl]cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.7854476
• LogD (pH = 7.4): 0.04349328
• Log P: 3.3941047
• Molar Refractivity: 113.0041 cm^3
• Polarizability: 44.448112 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.93
• LOG S: -2.34
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 7