8-(1-aminocyclopropanecarbonyl)-2-[(4-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 316913
• Molecular Formular: C19H24ClN3O2
• Molecular Mass: 361.86576
• Monoisotopic Mass: 361.1557047
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)C1(CC1)N)CC2)Cc1ccc(Cl)cc1
• Canonical SMILES: O=C(C1(N)CC1)N1CCC2(CC1)CN(C(=O)C2)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C19H24ClN3O2/c20-15-3-1-14(2-4-15)12-23-13-18(11-16(23)24)7-9-22(10-8-18)17(25)19(21)5-6-19/h1-4H,5-13,21H2
• InChIKey: NBLOVRZTQNUCLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1-aminocyclopropanecarbonyl)-2-[(4-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(1-aminocyclopropanecarbonyl)-2-[(4-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(1-aminocyclopropyl)carbonyl]-2-(4-chlorobenzyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6253315
• LogD (pH = 7.4): 0.03473489
• Log P: 0.95513815
• Molar Refractivity: 96.8485 cm^3
• Polarizability: 37.90305 Å^3
• Polar Surface Area: 66.64 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: 1.05
• LOG S: -2.73
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 3