N3-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide

• ChemBase ID: 612337
• Molecular Formular: C16H25N5O2
• Molecular Mass: 319.402
• Monoisotopic Mass: 319.20082507
• SMILES: N1(C(=O)N)CC(C(=O)NCCCn2c(C3CC3)ccn2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N)NCCCn1nccc1C1CC1
• InChI: InChI=1S/C16H25N5O2/c17-16(23)20-9-1-3-13(11-20)15(22)18-7-2-10-21-14(6-8-19-21)12-4-5-12/h6,8,12-13H,1-5,7,9-11H2,(H2,17,23)(H,18,22)
• InChIKey: CGRUFABBVGZNJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-[3-(5-cyclopropylpyrazol-1-yl)propyl]piperidine-1,3-dicarboxamide
• Synonyms: N~3~-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1,3-piperidinedicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.384333
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.35814667
• LogD (pH = 7.4): -0.3578625
• Log P: -0.35785887
• Molar Refractivity: 98.0837 cm^3
• Polarizability: 33.132824 Å^3
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.72
• LOG S: -2.22
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 6