N-cyclopropyl-3-{1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl}propanamide

• ChemBase ID: 506598
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: C(=O)(N1CCC(CC1)CCC(=O)NC1CC1)c1ccc(c2oc(cc2)C)cc1
• Canonical SMILES: O=C(c1ccc(cc1)c1ccc(o1)C)N1CCC(CC1)CCC(=O)NC1CC1
• InChI: InChI=1S/C23H28N2O3/c1-16-2-10-21(28-16)18-4-6-19(7-5-18)23(27)25-14-12-17(13-15-25)3-11-22(26)24-20-8-9-20/h2,4-7,10,17,20H,3,8-9,11-15H2,1H3,(H,24,26)
• InChIKey: VDTIVRXDXLJDRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-3-{1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl}propanamide
• IUPAC Traditional name: N-cyclopropyl-3-{1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl}propanamide
• Synonyms: N-cyclopropyl-3-{1-[4-(5-methyl-2-furyl)benzoyl]-4-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.438369
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.76685
• LogD (pH = 7.4): 2.7668502
• Log P: 2.7668505
• Molar Refractivity: 109.0947 cm^3
• Polarizability: 42.747303 Å^3
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.67
• LOG S: -6.13
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 6