4-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1-cyclopropanecarbonylpiperidine

• ChemBase ID: 530140
• Molecular Formular: C20H25ClN2O2
• Molecular Mass: 360.8777
• Monoisotopic Mass: 360.16045573
• SMILES: N1(C(=O)C2CCN(C(=O)C3CC3)CC2)CC(c2cc(Cl)ccc2)CC1
• Canonical SMILES: Clc1cccc(c1)C1CCN(C1)C(=O)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C20H25ClN2O2/c21-18-3-1-2-16(12-18)17-8-11-23(13-17)20(25)15-6-9-22(10-7-15)19(24)14-4-5-14/h1-3,12,14-15,17H,4-11,13H2
• InChIKey: ZBSKFTZJCFLNSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1-cyclopropanecarbonylpiperidine
• IUPAC Traditional name: 4-[3-(3-chlorophenyl)pyrrolidine-1-carbonyl]-1-cyclopropanecarbonylpiperidine
• Synonyms: 4-{[3-(3-chlorophenyl)-1-pyrrolidinyl]carbonyl}-1-(cyclopropylcarbonyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4189985
• LogD (pH = 7.4): 2.4189992
• Log P: 2.4189992
• Molar Refractivity: 98.5684 cm^3
• Polarizability: 38.213116 Å^3
• Polar Surface Area: 40.62 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: 2.73
• LOG S: -4.16
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3