1-cyclopropanecarbonyl-4-[4-(2-methylpiperidine-1-carbonyl)phenoxy]piperidine

• ChemBase ID: 728088
• Molecular Formular: C22H30N2O3
• Molecular Mass: 370.4852
• Monoisotopic Mass: 370.22564283
• SMILES: N1(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)C(C)CCCC1
• Canonical SMILES: CC1CCCCN1C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C22H30N2O3/c1-16-4-2-3-13-24(16)22(26)18-7-9-19(10-8-18)27-20-11-14-23(15-12-20)21(25)17-5-6-17/h7-10,16-17,20H,2-6,11-15H2,1H3
• InChIKey: NUYQDCFWVHGXSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-4-[4-(2-methylpiperidine-1-carbonyl)phenoxy]piperidine
• IUPAC Traditional name: 1-cyclopropanecarbonyl-4-[4-(2-methylpiperidine-1-carbonyl)phenoxy]piperidine
• Synonyms: 1-(4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}benzoyl)-2-methylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4140043
• LogD (pH = 7.4): 2.4140048
• Log P: 2.4140048
• Molar Refractivity: 105.0753 cm^3
• Polarizability: 40.483696 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.55
• LOG S: -3.98
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4