N-(1-cycloheptylpiperidin-3-yl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide

• ChemBase ID: 625574
• Molecular Formular: C19H32N4O
• Molecular Mass: 332.48358
• Monoisotopic Mass: 332.25761166
• SMILES: n1n(ccc1C)CCC(=O)NC1CN(C2CCCCCC2)CCC1
• Canonical SMILES: O=C(NC1CCCN(C1)C1CCCCCC1)CCn1ccc(n1)C
• InChI: InChI=1S/C19H32N4O/c1-16-10-13-23(21-16)14-11-19(24)20-17-7-6-12-22(15-17)18-8-4-2-3-5-9-18/h10,13,17-18H,2-9,11-12,14-15H2,1H3,(H,20,24)
• InChIKey: TXYOSHPDDOLVSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-cycloheptylpiperidin-3-yl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
• IUPAC Traditional name: N-(1-cycloheptylpiperidin-3-yl)-3-(3-methylpyrazol-1-yl)propanamide
• Synonyms: N-(1-cycloheptyl-3-piperidinyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.785235
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0039636
• LogD (pH = 7.4): 0.25005645
• Log P: 2.3922539
• Molar Refractivity: 107.9013 cm^3
• Polarizability: 37.797436 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.32
• LOG S: -3.91
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5