1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-ethyl-N-(2-methylprop-2-en-1-yl)piperidine-3-carboxamide

• ChemBase ID: 608673
• Molecular Formular: C21H35N3O2
• Molecular Mass: 361.5215
• Monoisotopic Mass: 361.27292738
• SMILES: C(=O)(C1CN(C2CCN(C(=O)C3CC3)CC2)CCC1)N(CC(=C)C)CC
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)C1CCN(CC1)C(=O)C1CC1)CC(=C)C
• InChI: InChI=1S/C21H35N3O2/c1-4-22(14-16(2)3)21(26)18-6-5-11-24(15-18)19-9-12-23(13-10-19)20(25)17-7-8-17/h17-19H,2,4-15H2,1,3H3
• InChIKey: XZRNDUFRNLSZRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-ethyl-N-(2-methylprop-2-en-1-yl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(1-cyclopropanecarbonylpiperidin-4-yl)-N-ethyl-N-(2-methylprop-2-en-1-yl)piperidine-3-carboxamide
• Synonyms: 1'-(cyclopropylcarbonyl)-N-ethyl-N-(2-methyl-2-propen-1-yl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.9644347
• LogD (pH = 7.4): -0.69119704
• Log P: 1.4245129
• Molar Refractivity: 105.1464 cm^3
• Polarizability: 40.921818 Å^3
• Polar Surface Area: 43.86 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: 0.99
• LOG S: -1.76
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 5