N-{2-[(1-cyclopentyl-6-oxopiperidin-3-yl)formamido]ethyl}-4-fluorobenzamide

• ChemBase ID: 562623
• Molecular Formular: C20H26FN3O3
• Molecular Mass: 375.4371432
• Monoisotopic Mass: 375.19581993
• SMILES: N1(CC(C(=O)NCCNC(=O)c2ccc(cc2)F)CCC1=O)C1CCCC1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)C1CCCC1)NCCNC(=O)c1ccc(cc1)F
• InChI: InChI=1S/C20H26FN3O3/c21-16-8-5-14(6-9-16)19(26)22-11-12-23-20(27)15-7-10-18(25)24(13-15)17-3-1-2-4-17/h5-6,8-9,15,17H,1-4,7,10-13H2,(H,22,26)(H,23,27)
• InChIKey: ULFSNXQEADMTLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(1-cyclopentyl-6-oxopiperidin-3-yl)formamido]ethyl}-4-fluorobenzamide
• IUPAC Traditional name: N-{2-[(1-cyclopentyl-6-oxopiperidin-3-yl)formamido]ethyl}-4-fluorobenzamide
• Synonyms: 1-cyclopentyl-N-{2-[(4-fluorobenzoyl)amino]ethyl}-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.496506
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.2574613
• LogD (pH = 7.4): 1.2574619
• Log P: 1.2574619
• Molar Refractivity: 99.2541 cm^3
• Polarizability: 37.78709 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.74
• LOG S: -3.42
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 6