N-cyclopropyl-N-({3-[(1-methylpiperidin-3-yl)methoxy]phenyl}methyl)furan-2-carboxamide

• ChemBase ID: 728120
• Molecular Formular: C22H28N2O3
• Molecular Mass: 368.46932
• Monoisotopic Mass: 368.20999277
• SMILES: C(=O)(N(C1CC1)Cc1cc(OCC2CN(CCC2)C)ccc1)c1occc1
• Canonical SMILES: CN1CCCC(C1)COc1cccc(c1)CN(C(=O)c1ccco1)C1CC1
• InChI: InChI=1S/C22H28N2O3/c1-23-11-3-6-18(14-23)16-27-20-7-2-5-17(13-20)15-24(19-9-10-19)22(25)21-8-4-12-26-21/h2,4-5,7-8,12-13,18-19H,3,6,9-11,14-16H2,1H3
• InChIKey: VEPWEQFRBNIMPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({3-[(1-methylpiperidin-3-yl)methoxy]phenyl}methyl)furan-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-({3-[(1-methylpiperidin-3-yl)methoxy]phenyl}methyl)furan-2-carboxamide
• Synonyms: N-cyclopropyl-N-{3-[(1-methyl-3-piperidinyl)methoxy]benzyl}-2-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.30165297
• LogD (pH = 7.4): 1.2976605
• Log P: 2.8928149
• Molar Refractivity: 105.778 cm^3
• Polarizability: 40.62435 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.94
• LOG S: -4.62
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 7