N-(4-fluorophenyl)-1-[1-(pyrrolidin-1-yl)cyclopentanecarbonyl]piperidin-3-amine

• ChemBase ID: 473625
• Molecular Formular: C21H30FN3O
• Molecular Mass: 359.4808032
• Monoisotopic Mass: 359.23729082
• SMILES: C(=O)(N1CC(Nc2ccc(F)cc2)CCC1)C1(N2CCCC2)CCCC1
• Canonical SMILES: Fc1ccc(cc1)NC1CCCN(C1)C(=O)C1(CCCC1)N1CCCC1
• InChI: InChI=1S/C21H30FN3O/c22-17-7-9-18(10-8-17)23-19-6-5-13-24(16-19)20(26)21(11-1-2-12-21)25-14-3-4-15-25/h7-10,19,23H,1-6,11-16H2
• InChIKey: XSDZOISPOJYIMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluorophenyl)-1-[1-(pyrrolidin-1-yl)cyclopentanecarbonyl]piperidin-3-amine
• IUPAC Traditional name: N-(4-fluorophenyl)-1-[1-(pyrrolidin-1-yl)cyclopentanecarbonyl]piperidin-3-amine
• Synonyms: N-(4-fluorophenyl)-1-{[1-(1-pyrrolidinyl)cyclopentyl]carbonyl}-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.031314332
• LogD (pH = 7.4): 1.5954474
• Log P: 3.1799743
• Molar Refractivity: 103.3927 cm^3
• Polarizability: 39.294132 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.55
• LOG S: -4.03
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 4