N-methyl-3-(1-methyl-1H-pyrazol-4-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide

• ChemBase ID: 578120
• Molecular Formular: C22H32N4O
• Molecular Mass: 368.51568
• Monoisotopic Mass: 368.25761166
• SMILES: n1n(cc(c1)CCC(=O)N(C1CN(CCCc2ccccc2)CCC1)C)C
• Canonical SMILES: Cn1ncc(c1)CCC(=O)N(C1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C22H32N4O/c1-24-17-20(16-23-24)12-13-22(27)25(2)21-11-7-15-26(18-21)14-6-10-19-8-4-3-5-9-19/h3-5,8-9,16-17,21H,6-7,10-15,18H2,1-2H3
• InChIKey: KMOFSOKNXBXJCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(1-methyl-1H-pyrazol-4-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
• Synonyms: N-methyl-3-(1-methyl-1H-pyrazol-4-yl)-N-[1-(3-phenylpropyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.060927026
• LogD (pH = 7.4): 1.5908335
• Log P: 3.0657444
• Molar Refractivity: 121.6845 cm^3
• Polarizability: 42.52651 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.82
• LOG S: -3.79
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 8