N-cyclopropyl-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxamide

• ChemBase ID: 657892
• Molecular Formular: C19H25N3O3
• Molecular Mass: 343.4201
• Monoisotopic Mass: 343.18959168
• SMILES: C1(C(=O)N2C(C(=O)NC3CC3)CNCC2)(CC1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C1(CC1)C(=O)N1CCNCC1C(=O)NC1CC1
• InChI: InChI=1S/C19H25N3O3/c1-25-15-6-2-13(3-7-15)19(8-9-19)18(24)22-11-10-20-12-16(22)17(23)21-14-4-5-14/h2-3,6-7,14,16,20H,4-5,8-12H2,1H3,(H,21,23)
• InChIKey: LFZAVDVRNUJPBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxamide
• Synonyms: N-cyclopropyl-1-{[1-(4-methoxyphenyl)cyclopropyl]carbonyl}-2-piperazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.079409
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.80746144
• LogD (pH = 7.4): 0.5986552
• Log P: 0.76531625
• Molar Refractivity: 93.2331 cm^3
• Polarizability: 36.70925 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.85
• LOG S: -2.43
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 5