N-(1-methyl-1H-pyrazol-3-yl)-2-{2-oxo-1-oxa-3,8-diazaspiro[4.6]undecan-8-yl}acetamide

• ChemBase ID: 348151
• Molecular Formular: C14H21N5O3
• Molecular Mass: 307.34824
• Monoisotopic Mass: 307.16443956
• SMILES: n1c(ccn1C)NC(=O)CN1CCC2(OC(=O)NC2)CCC1
• Canonical SMILES: O=C1NCC2(O1)CCCN(CC2)CC(=O)Nc1ccn(n1)C
• InChI: InChI=1S/C14H21N5O3/c1-18-7-3-11(17-18)16-12(20)9-19-6-2-4-14(5-8-19)10-15-13(21)22-14/h3,7H,2,4-6,8-10H2,1H3,(H,15,21)(H,16,17,20)
• InChIKey: POHVJFTXPYCWBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-methyl-1H-pyrazol-3-yl)-2-{2-oxo-1-oxa-3,8-diazaspiro[4.6]undecan-8-yl}acetamide
• IUPAC Traditional name: N-(1-methylpyrazol-3-yl)-2-{2-oxo-1-oxa-3,8-diazaspiro[4.6]undecan-8-yl}acetamide
• Synonyms: N-(1-methyl-1H-pyrazol-3-yl)-2-(2-oxo-1-oxa-3,8-diazaspiro[4.6]undec-8-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.3728
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.5523095
• LogD (pH = 7.4): -0.12953837
• Log P: 0.043694235
• Molar Refractivity: 92.5813 cm^3
• Polarizability: 30.56642 Å^3
• Polar Surface Area: 88.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.58
• LOG S: -1.94
• Polar Surface Area: 88.49 Å^2
• Rotatable Bonds: 3