1-(cyclohexylmethyl)-N-(2-methoxyethyl)-6-oxo-N-(propan-2-yl)piperidine-3-carboxamide

• ChemBase ID: 352539
• Molecular Formular: C19H34N2O3
• Molecular Mass: 338.48486
• Monoisotopic Mass: 338.25694296
• SMILES: N1(C(=O)CCC(C(=O)N(C(C)C)CCOC)C1)CC1CCCCC1
• Canonical SMILES: COCCN(C(=O)C1CCC(=O)N(C1)CC1CCCCC1)C(C)C
• InChI: InChI=1S/C19H34N2O3/c1-15(2)21(11-12-24-3)19(23)17-9-10-18(22)20(14-17)13-16-7-5-4-6-8-16/h15-17H,4-14H2,1-3H3
• InChIKey: TWYQHBSDGIBEOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-N-(2-methoxyethyl)-6-oxo-N-(propan-2-yl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-(cyclohexylmethyl)-N-isopropyl-N-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
• Synonyms: 1-(cyclohexylmethyl)-N-isopropyl-N-(2-methoxyethyl)-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9483869
• LogD (pH = 7.4): 1.9483876
• Log P: 1.9483876
• Molar Refractivity: 95.413 cm^3
• Polarizability: 37.381138 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.08
• LOG S: -1.34
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5