3-(2-phenoxyethyl)-8-(piperidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 554529
• Molecular Formular: C20H29N3O3
• Molecular Mass: 359.46256
• Monoisotopic Mass: 359.2208918
• SMILES: C1(=O)N(CC2(O1)CCN(CC2)C1CCNCC1)CCOc1ccccc1
• Canonical SMILES: O=C1OC2(CN1CCOc1ccccc1)CCN(CC2)C1CCNCC1
• InChI: InChI=1S/C20H29N3O3/c24-19-23(14-15-25-18-4-2-1-3-5-18)16-20(26-19)8-12-22(13-9-20)17-6-10-21-11-7-17/h1-5,17,21H,6-16H2
• InChIKey: QAVNTTASBGFVFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-phenoxyethyl)-8-(piperidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-(2-phenoxyethyl)-8-(piperidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-(2-phenoxyethyl)-8-piperidin-4-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -4.2906284
• LogD (pH = 7.4): -2.0979939
• Log P: 1.1032126
• Molar Refractivity: 99.9632 cm^3
• Polarizability: 39.55637 Å^3
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.68
• LOG S: -3.1
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 5