1-[1-(2-hydroxyacetyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

• ChemBase ID: 835744
• Molecular Formular: C16H29N3O4
• Molecular Mass: 327.41916
• Monoisotopic Mass: 327.21580642
• SMILES: N1(CC(C(=O)NCCOC)CCC1)C1CCN(C(=O)CO)CC1
• Canonical SMILES: COCCNC(=O)C1CCCN(C1)C1CCN(CC1)C(=O)CO
• InChI: InChI=1S/C16H29N3O4/c1-23-10-6-17-16(22)13-3-2-7-19(11-13)14-4-8-18(9-5-14)15(21)12-20/h13-14,20H,2-12H2,1H3,(H,17,22)
• InChIKey: BZJRDSBTULMCPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-[1-(2-hydroxyacetyl)piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
• Synonyms: 1'-glycoloyl-N-(2-methoxyethyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.628749
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -5.1635876
• LogD (pH = 7.4): -3.890475
• Log P: -1.774602
• Molar Refractivity: 87.4029 cm^3
• Polarizability: 34.048443 Å^3
• Polar Surface Area: 82.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.05
• LOG S: -2.0
• Polar Surface Area: 82.11 Å^2
• Rotatable Bonds: 6