1-cyclopentyl-4-[3-(3-propoxypiperidine-1-carbonyl)phenoxy]piperidine

• ChemBase ID: 688754
• Molecular Formular: C25H38N2O3
• Molecular Mass: 414.58082
• Monoisotopic Mass: 414.28824309
• SMILES: N1(C(=O)c2cc(OC3CCN(CC3)C3CCCC3)ccc2)CC(OCCC)CCC1
• Canonical SMILES: CCCOC1CCCN(C1)C(=O)c1cccc(c1)OC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C25H38N2O3/c1-2-17-29-24-11-6-14-27(19-24)25(28)20-7-5-10-23(18-20)30-22-12-15-26(16-13-22)21-8-3-4-9-21/h5,7,10,18,21-22,24H,2-4,6,8-9,11-17,19H2,1H3
• InChIKey: AVODUMMCMJLVLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-4-[3-(3-propoxypiperidine-1-carbonyl)phenoxy]piperidine
• IUPAC Traditional name: 1-cyclopentyl-4-[3-(3-propoxypiperidine-1-carbonyl)phenoxy]piperidine
• Synonyms: 1-{3-[(1-cyclopentyl-4-piperidinyl)oxy]benzoyl}-3-propoxypiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.41045132
• LogD (pH = 7.4): 1.7033905
• Log P: 3.7929943
• Molar Refractivity: 120.7846 cm^3
• Polarizability: 47.01594 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.9
• LOG S: -4.62
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5