6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 341297
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: N1(C(=O)[C@@H]2C[C@@H](C(=O)N3CCOCC3)CNC2)Cc2c(CC1)nccc2
• Canonical SMILES: O=C(N1CCc2c(C1)cccn2)[C@H]1CNC[C@@H](C1)C(=O)N1CCOCC1
• InChI: InChI=1S/C19H26N4O3/c24-18(22-6-8-26-9-7-22)15-10-16(12-20-11-15)19(25)23-5-3-17-14(13-23)2-1-4-21-17/h1-2,4,15-16,20H,3,5-13H2/t15-,16-/m1/s1
• InChIKey: RNMBIZMKHJAKGT-HZPDHXFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,6,7,8-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-7,8-dihydro-5H-1,6-naphthyridine
• Synonyms: 6-{[(3R*,5R*)-5-(morpholin-4-ylcarbonyl)piperidin-3-yl]carbonyl}-5,6,7,8-tetrahydro-1,6-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -4.004113
• LogD (pH = 7.4): -2.505269
• Log P: -0.9463772
• Molar Refractivity: 96.5004 cm^3
• Polarizability: 37.680508 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.34
• LOG S: -1.53
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 2