4-({4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]furan-2-yl}methyl)morpholine

• ChemBase ID: 690155
• Molecular Formular: C20H29N3O4
• Molecular Mass: 375.46196
• Monoisotopic Mass: 375.21580642
• SMILES: c1(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C(N1CCCC1)C1CCN(CC1)C(=O)c1coc(c1)CN1CCOCC1
• InChI: InChI=1S/C20H29N3O4/c24-19(22-5-1-2-6-22)16-3-7-23(8-4-16)20(25)17-13-18(27-15-17)14-21-9-11-26-12-10-21/h13,15-16H,1-12,14H2
• InChIKey: HSYSWGQIUPBSGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]furan-2-yl}methyl)morpholine
• IUPAC Traditional name: 4-({4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]furan-2-yl}methyl)morpholine
• Synonyms: 4-[(4-{[4-(1-pyrrolidinylcarbonyl)-1-piperidinyl]carbonyl}-2-furyl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.15631902
• LogD (pH = 7.4): 0.16751859
• Log P: 0.17369883
• Molar Refractivity: 102.4764 cm^3
• Polarizability: 38.937386 Å^3
• Polar Surface Area: 66.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.37
• LOG S: -2.93
• Polar Surface Area: 66.23 Å^2
• Rotatable Bonds: 4