N'1-[1-(cyclohexylmethyl)piperidin-3-yl]cyclopropane-1,1-dicarboxamide

• ChemBase ID: 318798
• Molecular Formular: C17H29N3O2
• Molecular Mass: 307.43106
• Monoisotopic Mass: 307.22597718
• SMILES: C1(C(=O)NC2CN(CC3CCCCC3)CCC2)(CC1)C(=O)N
• Canonical SMILES: O=C(C1(CC1)C(=O)N)NC1CCCN(C1)CC1CCCCC1
• InChI: InChI=1S/C17H29N3O2/c18-15(21)17(8-9-17)16(22)19-14-7-4-10-20(12-14)11-13-5-2-1-3-6-13/h13-14H,1-12H2,(H2,18,21)(H,19,22)
• InChIKey: XNOZHGYITBXIKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'1-[1-(cyclohexylmethyl)piperidin-3-yl]cyclopropane-1,1-dicarboxamide
• IUPAC Traditional name: N'1-[1-(cyclohexylmethyl)piperidin-3-yl]cyclopropane-1,1-dicarboxamide
• Synonyms: N~1~-[1-(cyclohexylmethyl)-3-piperidinyl]-1,1-cyclopropanedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.454432
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7751806
• LogD (pH = 7.4): -0.2836564
• Log P: 1.5124406
• Molar Refractivity: 85.7775 cm^3
• Polarizability: 33.802547 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.05
• LOG S: -1.69
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 5