1-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidine

• ChemBase ID: 564352
• Molecular Formular: C23H28N2O3
• Molecular Mass: 380.48002
• Monoisotopic Mass: 380.20999277
• SMILES: C(=O)(c1c(OC2CCN(CC2)C/C=C/c2occc2)cccc1)N1CCCC1
• Canonical SMILES: O=C(c1ccccc1OC1CCN(CC1)C/C=C/c1ccco1)N1CCCC1
• InChI: InChI=1S/C23H28N2O3/c26-23(25-14-3-4-15-25)21-9-1-2-10-22(21)28-20-11-16-24(17-12-20)13-5-7-19-8-6-18-27-19/h1-2,5-10,18,20H,3-4,11-17H2/b7-5+
• InChIKey: OPSUHDMLEOWAPD-FNORWQNLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidine
• IUPAC Traditional name: 1-[(2E)-3-(furan-2-yl)prop-2-en-1-yl]-4-[2-(pyrrolidine-1-carbonyl)phenoxy]piperidine
• Synonyms: 1-[(2E)-3-(2-furyl)-2-propen-1-yl]-4-[2-(1-pyrrolidinylcarbonyl)phenoxy]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0049442
• LogD (pH = 7.4): 2.6180148
• Log P: 2.940806
• Molar Refractivity: 111.7072 cm^3
• Polarizability: 42.29794 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.9
• LOG S: -4.37
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 6