N'1-(1-cycloheptylpiperidin-3-yl)cyclopropane-1,1-dicarboxamide

• ChemBase ID: 652302
• Molecular Formular: C17H29N3O2
• Molecular Mass: 307.43106
• Monoisotopic Mass: 307.22597718
• SMILES: C1(C(=O)NC2CN(C3CCCCCC3)CCC2)(CC1)C(=O)N
• Canonical SMILES: O=C(C1(CC1)C(=O)N)NC1CCCN(C1)C1CCCCCC1
• InChI: InChI=1S/C17H29N3O2/c18-15(21)17(9-10-17)16(22)19-13-6-5-11-20(12-13)14-7-3-1-2-4-8-14/h13-14H,1-12H2,(H2,18,21)(H,19,22)
• InChIKey: XSLDEDDFSFCOHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'1-(1-cycloheptylpiperidin-3-yl)cyclopropane-1,1-dicarboxamide
• IUPAC Traditional name: N'1-(1-cycloheptylpiperidin-3-yl)cyclopropane-1,1-dicarboxamide
• Synonyms: N~1~-(1-cycloheptyl-3-piperidinyl)-1,1-cyclopropanedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.471532
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7132229
• LogD (pH = 7.4): -0.3478692
• Log P: 1.6419965
• Molar Refractivity: 85.6477 cm^3
• Polarizability: 33.802547 Å^3
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.9
• LOG S: -1.59
• Polar Surface Area: 75.43 Å^2
• Rotatable Bonds: 4