2-methyl-4-(2-methylphenyl)-1-[4-(piperidine-1-carbonyl)pyridin-2-yl]piperazine

• ChemBase ID: 435404
• Molecular Formular: C23H30N4O
• Molecular Mass: 378.5105
• Monoisotopic Mass: 378.2419616
• SMILES: N1(c2cc(C(=O)N3CCCCC3)ccn2)C(CN(c2c(C)cccc2)CC1)C
• Canonical SMILES: CC1CN(CCN1c1nccc(c1)C(=O)N1CCCCC1)c1ccccc1C
• InChI: InChI=1S/C23H30N4O/c1-18-8-4-5-9-21(18)26-14-15-27(19(2)17-26)22-16-20(10-11-24-22)23(28)25-12-6-3-7-13-25/h4-5,8-11,16,19H,3,6-7,12-15,17H2,1-2H3
• InChIKey: FEJZGXNTVYQEKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(2-methylphenyl)-1-[4-(piperidine-1-carbonyl)pyridin-2-yl]piperazine
• IUPAC Traditional name: 2-methyl-4-(2-methylphenyl)-1-[4-(piperidine-1-carbonyl)pyridin-2-yl]piperazine
• Synonyms: 2-methyl-4-(2-methylphenyl)-1-[4-(1-piperidinylcarbonyl)-2-pyridinyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.2198396
• LogD (pH = 7.4): 4.2739377
• Log P: 4.2746696
• Molar Refractivity: 115.6656 cm^3
• Polarizability: 42.861153 Å^3
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.93
• LOG S: -4.46
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 3