1-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-6-azaspiro[2.5]octane

• ChemBase ID: 600324
• Molecular Formular: C19H25FN2O2
• Molecular Mass: 332.4124032
• Monoisotopic Mass: 332.19000627
• SMILES: C1(C2(C1)CCNCC2)C(=O)N1CCC(CC1)Oc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)OC1CCN(CC1)C(=O)C1CC21CCNCC2
• InChI: InChI=1S/C19H25FN2O2/c20-14-1-3-15(4-2-14)24-16-5-11-22(12-6-16)18(23)17-13-19(17)7-9-21-10-8-19/h1-4,16-17,21H,5-13H2
• InChIKey: ZFPRTPCZAKVWGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-6-azaspiro[2.5]octane
• IUPAC Traditional name: 1-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-6-azaspiro[2.5]octane
• Synonyms: 1-{[4-(4-fluorophenoxy)-1-piperidinyl]carbonyl}-6-azaspiro[2.5]octane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7812055
• LogD (pH = 7.4): -1.0952889
• Log P: 1.4388951
• Molar Refractivity: 90.113 cm^3
• Polarizability: 35.160606 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.37
• LOG S: -3.65
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 3