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

• ChemBase ID: 552528
• Molecular Formular: C20H30ClN3O
• Molecular Mass: 363.9247
• Monoisotopic Mass: 363.20774028
• SMILES: N1(C(=O)CC2(C1)CCN(CC2)CCCN(C)C)Cc1ccc(Cl)cc1
• Canonical SMILES: CN(CCCN1CCC2(CC1)CC(=O)N(C2)Cc1ccc(cc1)Cl)C
• InChI: InChI=1S/C20H30ClN3O/c1-22(2)10-3-11-23-12-8-20(9-13-23)14-19(25)24(16-20)15-17-4-6-18(21)7-5-17/h4-7H,3,8-16H2,1-2H3
• InChIKey: QIXLDJDFRLDRNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(4-chlorophenyl)methyl]-8-[3-(dimethylamino)propyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(4-chlorophenyl)methyl]-8-[3-(dimethylamino)propyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(4-chlorobenzyl)-8-[3-(dimethylamino)propyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.3730326
• LogD (pH = 7.4): -0.8099183
• Log P: 2.0372663
• Molar Refractivity: 104.8511 cm^3
• Polarizability: 40.771503 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.91
• LOG S: -4.34
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 6