8-(4-methylpyridine-3-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 716814
• Molecular Formular: C24H29N3O2
• Molecular Mass: 391.50596
• Monoisotopic Mass: 391.22597718
• SMILES: C(=O)(c1c(ccnc1)C)N1CCC2(CN(C(=O)C2)CCCc2ccccc2)CC1
• Canonical SMILES: O=C1CC2(CN1CCCc1ccccc1)CCN(CC2)C(=O)c1cnccc1C
• InChI: InChI=1S/C24H29N3O2/c1-19-9-12-25-17-21(19)23(29)26-14-10-24(11-15-26)16-22(28)27(18-24)13-5-8-20-6-3-2-4-7-20/h2-4,6-7,9,12,17H,5,8,10-11,13-16,18H2,1H3
• InChIKey: NPCMOOUOSKHYRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4-methylpyridine-3-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(4-methylpyridine-3-carbonyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(4-methylpyridin-3-yl)carbonyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4181554
• LogD (pH = 7.4): 2.4640393
• Log P: 2.464665
• Molar Refractivity: 114.3438 cm^3
• Polarizability: 43.628876 Å^3
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.33
• LOG S: -4.04
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5