1-(furan-2-ylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide

• ChemBase ID: 478059
• Molecular Formular: C16H24N4O3
• Molecular Mass: 320.38676
• Monoisotopic Mass: 320.18484065
• SMILES: C1(=O)N(CCNC(=O)C2CN(Cc3occc3)CCC2)CCN1
• Canonical SMILES: O=C(C1CCCN(C1)Cc1ccco1)NCCN1CCNC1=O
• InChI: InChI=1S/C16H24N4O3/c21-15(17-5-8-20-9-6-18-16(20)22)13-3-1-7-19(11-13)12-14-4-2-10-23-14/h2,4,10,13H,1,3,5-9,11-12H2,(H,17,21)(H,18,22)
• InChIKey: HNRDVFYECYECQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
• Synonyms: 1-(2-furylmethyl)-N-[2-(2-oxo-1-imidazolidinyl)ethyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.865647
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.360246
• LogD (pH = 7.4): -1.6263897
• Log P: -0.41521478
• Molar Refractivity: 85.8331 cm^3
• Polarizability: 32.95795 Å^3
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.09
• LOG S: -2.77
• Polar Surface Area: 77.82 Å^2
• Rotatable Bonds: 6