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

• ChemBase ID: 616557
• Molecular Formular: C22H39N3O
• Molecular Mass: 361.56456
• Monoisotopic Mass: 361.30931288
• SMILES: C(=O)(N(CC1CN(C2CCCC2)CCC1)CCN1CCCCC1)C1CC1
• Canonical SMILES: O=C(N(CC1CCCN(C1)C1CCCC1)CCN1CCCCC1)C1CC1
• InChI: InChI=1S/C22H39N3O/c26-22(20-10-11-20)25(16-15-23-12-4-1-5-13-23)18-19-7-6-14-24(17-19)21-8-2-3-9-21/h19-21H,1-18H2
• InChIKey: AQKRTEXOSLZYGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.230016
• LogD (pH = 7.4): -0.4010754
• Log P: 2.949536
• Molar Refractivity: 108.4031 cm^3
• Polarizability: 42.603836 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: 3.37
• LOG S: -1.94
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 7