1-cyclopentyl-3-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]piperidine

• ChemBase ID: 361093
• Molecular Formular: C21H30N2O3
• Molecular Mass: 358.4745
• Monoisotopic Mass: 358.22564283
• SMILES: N1(C(=O)C2CN(C3CCCC3)CCC2)CC(C1)Oc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OC1CN(C1)C(=O)C1CCCN(C1)C1CCCC1
• InChI: InChI=1S/C21H30N2O3/c1-25-18-9-4-10-19(12-18)26-20-14-23(15-20)21(24)16-6-5-11-22(13-16)17-7-2-3-8-17/h4,9-10,12,16-17,20H,2-3,5-8,11,13-15H2,1H3
• InChIKey: QARGEEGAMWDHBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-3-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]piperidine
• IUPAC Traditional name: 1-cyclopentyl-3-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]piperidine
• Synonyms: 1-cyclopentyl-3-{[3-(3-methoxyphenoxy)-1-azetidinyl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.6825724
• LogD (pH = 7.4): 0.1104617
• Log P: 2.7889194
• Molar Refractivity: 100.9614 cm^3
• Polarizability: 39.852654 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.95
• LOG S: -4.33
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5