N-cyclopropyl-3-[1-(2,5-dimethylbenzoyl)piperidin-3-yl]propanamide

• ChemBase ID: 477969
• Molecular Formular: C20H28N2O2
• Molecular Mass: 328.44852
• Monoisotopic Mass: 328.21507815
• SMILES: C(=O)(N1CC(CCC(=O)NC2CC2)CCC1)c1c(ccc(c1)C)C
• Canonical SMILES: O=C(NC1CC1)CCC1CCCN(C1)C(=O)c1cc(C)ccc1C
• InChI: InChI=1S/C20H28N2O2/c1-14-5-6-15(2)18(12-14)20(24)22-11-3-4-16(13-22)7-10-19(23)21-17-8-9-17/h5-6,12,16-17H,3-4,7-11,13H2,1-2H3,(H,21,23)
• InChIKey: ZHCHHJMLHRDRRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-[1-(2,5-dimethylbenzoyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-cyclopropyl-3-[1-(2,5-dimethylbenzoyl)piperidin-3-yl]propanamide
• Synonyms: N-cyclopropyl-3-[1-(2,5-dimethylbenzoyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.463174
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.964613
• LogD (pH = 7.4): 2.9646134
• Log P: 2.9646134
• Molar Refractivity: 96.4233 cm^3
• Polarizability: 36.69576 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.9
• LOG S: -4.87
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5