2-[4-(piperidine-1-carbonyl)pyridin-2-yl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 747594
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: C12(C(=O)NCCC2)CN(c2cc(C(=O)N3CCCCC3)ccn2)CC1
• Canonical SMILES: O=C(c1ccnc(c1)N1CCC2(C1)CCCNC2=O)N1CCCCC1
• InChI: InChI=1S/C19H26N4O2/c24-17(22-10-2-1-3-11-22)15-5-9-20-16(13-15)23-12-7-19(14-23)6-4-8-21-18(19)25/h5,9,13H,1-4,6-8,10-12,14H2,(H,21,25)
• InChIKey: ZGRFZCHNHLMSCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(piperidine-1-carbonyl)pyridin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[4-(piperidine-1-carbonyl)pyridin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[4-(1-piperidinylcarbonyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.77653
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2797565
• LogD (pH = 7.4): 1.3339266
• Log P: 1.3346663
• Molar Refractivity: 97.3732 cm^3
• Polarizability: 36.381496 Å^3
• Polar Surface Area: 65.54 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: -0.66
• LOG S: -2.44
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 2