1-[3-(1,2-oxazinan-2-yl)propanoyl]-4-(piperidin-1-yl)piperidine-4-carboxamide

• ChemBase ID: 443987
• Molecular Formular: C18H32N4O3
• Molecular Mass: 352.47168
• Monoisotopic Mass: 352.2474409
• SMILES: C1(N2CCCCC2)(C(=O)N)CCN(C(=O)CCN2OCCCC2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)(C(=O)N)N1CCCCC1)CCN1CCCCO1
• InChI: InChI=1S/C18H32N4O3/c19-17(24)18(21-9-2-1-3-10-21)7-13-20(14-8-18)16(23)6-12-22-11-4-5-15-25-22/h1-15H2,(H2,19,24)
• InChIKey: JUZIDKWIKGFMIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(1,2-oxazinan-2-yl)propanoyl]-4-(piperidin-1-yl)piperidine-4-carboxamide
• IUPAC Traditional name: 1-[3-(1,2-oxazinan-2-yl)propanoyl]-4-(piperidin-1-yl)piperidine-4-carboxamide
• Synonyms: 1'-[3-(1,2-oxazinan-2-yl)propanoyl]-1,4'-bipiperidine-4'-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.9217825
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.2164714
• LogD (pH = 7.4): -1.4440285
• Log P: -0.6592024
• Molar Refractivity: 96.4206 cm^3
• Polarizability: 37.878532 Å^3
• Polar Surface Area: 79.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.31
• LOG S: -3.34
• Polar Surface Area: 79.11 Å^2
• Rotatable Bonds: 5