N-[2-({5-[4-(morpholin-4-yl)piperidine-1-carbonyl]pyridin-2-yl}amino)ethyl]acetamide

• ChemBase ID: 429570
• Molecular Formular: C19H29N5O3
• Molecular Mass: 375.46526
• Monoisotopic Mass: 375.22703981
• SMILES: C(=O)(N1CCC(N2CCOCC2)CC1)c1cnc(NCCNC(=O)C)cc1
• Canonical SMILES: CC(=O)NCCNc1ccc(cn1)C(=O)N1CCC(CC1)N1CCOCC1
• InChI: InChI=1S/C19H29N5O3/c1-15(25)20-6-7-21-18-3-2-16(14-22-18)19(26)24-8-4-17(5-9-24)23-10-12-27-13-11-23/h2-3,14,17H,4-13H2,1H3,(H,20,25)(H,21,22)
• InChIKey: CDFNSKBTCXQKQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.98779
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.0584617
• LogD (pH = 7.4): -1.3529962
• Log P: -1.0490301
• Molar Refractivity: 105.1994 cm^3
• Polarizability: 39.347294 Å^3
• Polar Surface Area: 86.8 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: -1.28
• LOG S: -2.15
• Polar Surface Area: 86.8 Å^2
• Rotatable Bonds: 6