3-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide

• ChemBase ID: 330787
• Molecular Formular: C18H23N5O3
• Molecular Mass: 357.40692
• Monoisotopic Mass: 357.18008962
• SMILES: c1(C(=O)N2CCC(CC2)CCC(=O)NCc2cnccc2)nonc1C
• Canonical SMILES: O=C(NCc1cccnc1)CCC1CCN(CC1)C(=O)c1nonc1C
• InChI: InChI=1S/C18H23N5O3/c1-13-17(22-26-21-13)18(25)23-9-6-14(7-10-23)4-5-16(24)20-12-15-3-2-8-19-11-15/h2-3,8,11,14H,4-7,9-10,12H2,1H3,(H,20,24)
• InChIKey: SWBRVXIULDDJNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
• IUPAC Traditional name: 3-[1-(4-methyl-1,2,5-oxadiazole-3-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
• Synonyms: 3-{1-[(4-methyl-1,2,5-oxadiazol-3-yl)carbonyl]-4-piperidinyl}-N-(3-pyridinylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.807679
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.06542032
• LogD (pH = 7.4): 0.0061051897
• Log P: 0.0071189506
• Molar Refractivity: 96.2525 cm^3
• Polarizability: 35.86967 Å^3
• Polar Surface Area: 101.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.34
• LOG S: -3.17
• Polar Surface Area: 101.22 Å^2
• Rotatable Bonds: 6