N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]furan-3-carboxamide

• ChemBase ID: 315397
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: C(=O)(c1cocc1)N(C1CN(CCCc2ccccc2)CCC1)C
• Canonical SMILES: CN(C(=O)c1cocc1)C1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C20H26N2O2/c1-21(20(23)18-11-14-24-16-18)19-10-6-13-22(15-19)12-5-9-17-7-3-2-4-8-17/h2-4,7-8,11,14,16,19H,5-6,9-10,12-13,15H2,1H3
• InChIKey: QJOBXZZNOUCNEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]furan-3-carboxamide
• IUPAC Traditional name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]furan-3-carboxamide
• Synonyms: N-methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-3-furamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.44757262
• LogD (pH = 7.4): 2.19195
• Log P: 3.3533957
• Molar Refractivity: 96.6421 cm^3
• Polarizability: 36.91894 Å^3
• Polar Surface Area: 36.69 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: 3.34
• LOG S: -2.85
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 6