(3R,5R)-N-{2-[(4-methylpyridin-2-yl)amino]ethyl}-5-(morpholine-4-carbonyl)piperidine-3-carboxamide

• ChemBase ID: 573027
• Molecular Formular: C19H29N5O3
• Molecular Mass: 375.46526
• Monoisotopic Mass: 375.22703981
• SMILES: C(=O)([C@@H]1C[C@@H](C(=O)NCCNc2nccc(c2)C)CNC1)N1CCOCC1
• Canonical SMILES: O=C([C@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)NCCNc1nccc(c1)C
• InChI: InChI=1S/C19H29N5O3/c1-14-2-3-21-17(10-14)22-4-5-23-18(25)15-11-16(13-20-12-15)19(26)24-6-8-27-9-7-24/h2-3,10,15-16,20H,4-9,11-13H2,1H3,(H,21,22)(H,23,25)/t15-,16-/m1/s1
• InChIKey: FOXITCSUUZSXDW-HZPDHXFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R,5R)-N-{2-[(4-methylpyridin-2-yl)amino]ethyl}-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
• IUPAC Traditional name: (3R,5R)-N-{2-[(4-methylpyridin-2-yl)amino]ethyl}-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
• Synonyms: (3R*,5R*)-N-{2-[(4-methylpyridin-2-yl)amino]ethyl}-5-(morpholin-4-ylcarbonyl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.550834
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -4.9737673
• LogD (pH = 7.4): -2.4348097
• Log P: -0.58186036
• Molar Refractivity: 103.8968 cm^3
• Polarizability: 39.483143 Å^3
• Polar Surface Area: 95.59 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.19
• LOG S: -3.08
• Polar Surface Area: 95.59 Å^2
• Rotatable Bonds: 6