1-(cyclopent-1-ene-1-carbonyl)-N-phenylpiperidin-3-amine

• ChemBase ID: 721947
• Molecular Formular: C17H22N2O
• Molecular Mass: 270.36938
• Monoisotopic Mass: 270.17321333
• SMILES: N1(C(=O)C2=CCCC2)CC(Nc2ccccc2)CCC1
• Canonical SMILES: O=C(C1=CCCC1)N1CCCC(C1)Nc1ccccc1
• InChI: InChI=1S/C17H22N2O/c20-17(14-7-4-5-8-14)19-12-6-11-16(13-19)18-15-9-2-1-3-10-15/h1-3,7,9-10,16,18H,4-6,8,11-13H2
• InChIKey: BCAWGAFZTGGBNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopent-1-ene-1-carbonyl)-N-phenylpiperidin-3-amine
• IUPAC Traditional name: 1-(cyclopent-1-ene-1-carbonyl)-N-phenylpiperidin-3-amine
• Synonyms: 1-(1-cyclopenten-1-ylcarbonyl)-N-phenyl-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6331182
• LogD (pH = 7.4): 2.6758752
• Log P: 2.6764486
• Molar Refractivity: 83.2304 cm^3
• Polarizability: 31.243837 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.35
• LOG S: -4.38
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3