N1,N1,N3-trimethyl-N3-[3-(1-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 586686
• Molecular Formular: C17H29N5O2
• Molecular Mass: 335.44446
• Monoisotopic Mass: 335.23212519
• SMILES: C(=O)(N1CC(C(=O)N(CCCc2cn(nc2)C)C)CCC1)N(C)C
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N(C)C)N(CCCc1cnn(c1)C)C
• InChI: InChI=1S/C17H29N5O2/c1-19(2)17(24)22-10-6-8-15(13-22)16(23)20(3)9-5-7-14-11-18-21(4)12-14/h11-12,15H,5-10,13H2,1-4H3
• InChIKey: VSYQDFUVVVJWMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N1,N1,N3-trimethyl-N3-[3-(1-methyl-1H-pyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N1,N1,N3-trimethyl-N3-[3-(1-methylpyrazol-4-yl)propyl]piperidine-1,3-dicarboxamide
• Synonyms: N~1~,N~1~,N~3~-trimethyl-N~3~-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2857567
• LogD (pH = 7.4): 0.28585976
• Log P: 0.28586107
• Molar Refractivity: 105.4449 cm^3
• Polarizability: 35.684204 Å^3
• Polar Surface Area: 61.68 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: 0.34
• LOG S: -3.25
• Polar Surface Area: 61.68 Å^2
• Rotatable Bonds: 5