4-({4-[(3R)-3-methylpiperazine-1-carbonyl]furan-2-yl}methyl)morpholine

• ChemBase ID: 513783
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: c1(C(=O)N2C[C@H](NCC2)C)cc(oc1)CN1CCOCC1
• Canonical SMILES: C[C@H]1NCCN(C1)C(=O)c1coc(c1)CN1CCOCC1
• InChI: InChI=1S/C15H23N3O3/c1-12-9-18(3-2-16-12)15(19)13-8-14(21-11-13)10-17-4-6-20-7-5-17/h8,11-12,16H,2-7,9-10H2,1H3/t12-/m1/s1
• InChIKey: SUXSQXLVYKZDGC-GFCCVEGCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({4-[(3R)-3-methylpiperazine-1-carbonyl]furan-2-yl}methyl)morpholine
• IUPAC Traditional name: 4-({4-[(3R)-3-methylpiperazine-1-carbonyl]furan-2-yl}methyl)morpholine
• Synonyms: 4-[(4-{[(3R)-3-methyl-1-piperazinyl]carbonyl}-2-furyl)methyl]morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7449963
• LogD (pH = 7.4): -0.6955956
• Log P: -0.06497213
• Molar Refractivity: 80.1121 cm^3
• Polarizability: 30.755173 Å^3
• Polar Surface Area: 57.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.89
• LOG S: -1.89
• Polar Surface Area: 57.95 Å^2
• Rotatable Bonds: 3