4-(3-{[1-(cyclopent-1-ene-1-carbonyl)piperidin-4-yl]oxy}benzoyl)morpholine

• ChemBase ID: 862486
• Molecular Formular: C22H28N2O4
• Molecular Mass: 384.46872
• Monoisotopic Mass: 384.20490739
• SMILES: C(=O)(N1CCC(Oc2cc(C(=O)N3CCOCC3)ccc2)CC1)C1=CCCC1
• Canonical SMILES: O=C(C1=CCCC1)N1CCC(CC1)Oc1cccc(c1)C(=O)N1CCOCC1
• InChI: InChI=1S/C22H28N2O4/c25-21(17-4-1-2-5-17)23-10-8-19(9-11-23)28-20-7-3-6-18(16-20)22(26)24-12-14-27-15-13-24/h3-4,6-7,16,19H,1-2,5,8-15H2
• InChIKey: ZBZBYRGXGNSKIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-{[1-(cyclopent-1-ene-1-carbonyl)piperidin-4-yl]oxy}benzoyl)morpholine
• IUPAC Traditional name: 4-(3-{[1-(cyclopent-1-ene-1-carbonyl)piperidin-4-yl]oxy}benzoyl)morpholine
• Synonyms: 4-(3-{[1-(1-cyclopenten-1-ylcarbonyl)-4-piperidinyl]oxy}benzoyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6680865
• LogD (pH = 7.4): 1.6680882
• Log P: 1.6680882
• Molar Refractivity: 107.6669 cm^3
• Polarizability: 40.94686 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.94
• LOG S: -3.57
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 4