N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1H-pyrazol-1-yl)benzamide

• ChemBase ID: 314516
• Molecular Formular: C25H30N4O
• Molecular Mass: 402.5319
• Monoisotopic Mass: 402.2419616
• SMILES: C(=O)(c1c(n2nccc2)cccc1)N(C1CN(CCCc2ccccc2)CCC1)C
• Canonical SMILES: CN(C(=O)c1ccccc1n1cccn1)C1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C25H30N4O/c1-27(25(30)23-14-5-6-15-24(23)29-19-9-16-26-29)22-13-8-18-28(20-22)17-7-12-21-10-3-2-4-11-21/h2-6,9-11,14-16,19,22H,7-8,12-13,17-18,20H2,1H3
• InChIKey: ONMKUISXPNHYGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(1H-pyrazol-1-yl)benzamide
• IUPAC Traditional name: N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-(pyrazol-1-yl)benzamide
• Synonyms: N-methyl-N-[1-(3-phenylpropyl)-3-piperidinyl]-2-(1H-pyrazol-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1812112
• LogD (pH = 7.4): 2.8386354
• Log P: 4.298969
• Molar Refractivity: 122.4904 cm^3
• Polarizability: 47.16634 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.69
• LOG S: -4.88
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 7