2-(1-methyl-4-phenylpiperidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 489034
• Molecular Formular: C21H29N3O2
• Molecular Mass: 355.47386
• Monoisotopic Mass: 355.22597718
• SMILES: C(=O)(N1CC2(C(=O)NCCC2)CC1)C1(CCN(CC1)C)c1ccccc1
• Canonical SMILES: CN1CCC(CC1)(c1ccccc1)C(=O)N1CCC2(C1)CCCNC2=O
• InChI: InChI=1S/C21H29N3O2/c1-23-13-10-21(11-14-23,17-6-3-2-4-7-17)19(26)24-15-9-20(16-24)8-5-12-22-18(20)25/h2-4,6-7H,5,8-16H2,1H3,(H,22,25)
• InChIKey: HHMAJTZLMCCOBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-methyl-4-phenylpiperidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(1-methyl-4-phenylpiperidine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(1-methyl-4-phenyl-4-piperidinyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.436601
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7122844
• LogD (pH = 7.4): -0.01066664
• Log P: 1.3217409
• Molar Refractivity: 102.2978 cm^3
• Polarizability: 39.705593 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.68
• LOG S: -2.37
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2