1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 596274
• Molecular Formular: C19H26N2O3S
• Molecular Mass: 362.48634
• Monoisotopic Mass: 362.1664137
• SMILES: C(=O)(C1CN(Cc2occc2)CCC1)N(Cc1sccc1)CCOC
• Canonical SMILES: COCCN(C(=O)C1CCCN(C1)Cc1ccco1)Cc1cccs1
• InChI: InChI=1S/C19H26N2O3S/c1-23-11-9-21(15-18-7-4-12-25-18)19(22)16-5-2-8-20(13-16)14-17-6-3-10-24-17/h3-4,6-7,10,12,16H,2,5,8-9,11,13-15H2,1H3
• InChIKey: FIKDTSOJNNIHEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: 1-(2-furylmethyl)-N-(2-methoxyethyl)-N-(2-thienylmethyl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.45353448
• LogD (pH = 7.4): 1.2949418
• Log P: 2.4346957
• Molar Refractivity: 99.3811 cm^3
• Polarizability: 38.4051 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.15
• LOG S: -4.53
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 8