N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide

• ChemBase ID: 783573
• Molecular Formular: C22H33N3O
• Molecular Mass: 355.51692
• Monoisotopic Mass: 355.26236269
• SMILES: N(C(=O)C1CC1)(CC1CN(C2CCCCC2)CCC1)Cc1cnccc1
• Canonical SMILES: O=C(N(Cc1cccnc1)CC1CCCN(C1)C1CCCCC1)C1CC1
• InChI: InChI=1S/C22H33N3O/c26-22(20-10-11-20)25(15-18-6-4-12-23-14-18)17-19-7-5-13-24(16-19)21-8-2-1-3-9-21/h4,6,12,14,19-21H,1-3,5,7-11,13,15-17H2
• InChIKey: ZAPBKPLRWGIABQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
• IUPAC Traditional name: N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
• Synonyms: N-[(1-cyclohexylpiperidin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.4945939
• LogD (pH = 7.4): 0.46429354
• Log P: 3.031895
• Molar Refractivity: 105.2987 cm^3
• Polarizability: 41.289223 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.79
• LOG S: -2.88
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 6