7-cyclopentyl-2-(morpholine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 791162
• Molecular Formular: C18H29N3O3
• Molecular Mass: 335.44116
• Monoisotopic Mass: 335.2208918
• SMILES: C12(C(=O)N(C3CCCC3)CCC2)CN(C(=O)N2CCOCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C1CCCC1)N1CCOCC1
• InChI: InChI=1S/C18H29N3O3/c22-16-18(6-3-8-21(16)15-4-1-2-5-15)7-9-20(14-18)17(23)19-10-12-24-13-11-19/h15H,1-14H2
• InChIKey: WTZCFEZHHRMAOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-(morpholine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-(morpholine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-(4-morpholinylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.61897874
• LogD (pH = 7.4): 0.6189808
• Log P: 0.6189809
• Molar Refractivity: 90.83 cm^3
• Polarizability: 35.249283 Å^3
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.21
• LOG S: -2.68
• Polar Surface Area: 53.09 Å^2
• Rotatable Bonds: 1