1-({5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-yl}amino)butan-2-ol

• ChemBase ID: 492486
• Molecular Formular: C19H30N4O3
• Molecular Mass: 362.4665
• Monoisotopic Mass: 362.23179084
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)c1cnc(NCC(O)CC)cc1
• Canonical SMILES: CCC(CNc1ccc(cn1)C(=O)N1CCC(CC1)N1CCOCC1)O
• InChI: InChI=1S/C19H30N4O3/c1-2-17(24)14-21-18-4-3-15(13-20-18)19(25)23-7-5-16(6-8-23)22-9-11-26-12-10-22/h3-4,13,16-17,24H,2,5-12,14H2,1H3,(H,20,21)
• InChIKey: GKIDJMHLBAMKFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-({5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-yl}amino)butan-2-ol
• IUPAC Traditional name: 1-({5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-yl}amino)butan-2-ol
• Synonyms: 1-({5-[(4-morpholin-4-ylpiperidin-1-yl)carbonyl]pyridin-2-yl}amino)butan-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.890324
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.8283876
• LogD (pH = 7.4): -0.12575771
• Log P: 0.17810255
• Molar Refractivity: 103.0409 cm^3
• Polarizability: 38.742065 Å^3
• Polar Surface Area: 77.93 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: 0.09
• LOG S: -3.23
• Polar Surface Area: 77.93 Å^2
• Rotatable Bonds: 6