N-cyclopropyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]piperidine-3-carboxamide

• ChemBase ID: 642247
• Molecular Formular: C19H29N5O
• Molecular Mass: 343.46646
• Monoisotopic Mass: 343.23721057
• SMILES: C(=O)(C1CN(C2CCN(c3nnc(cc3)C)CC2)CCC1)NC1CC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)c1ccc(nn1)C)NC1CC1
• InChI: InChI=1S/C19H29N5O/c1-14-4-7-18(22-21-14)23-11-8-17(9-12-23)24-10-2-3-15(13-24)19(25)20-16-5-6-16/h4,7,15-17H,2-3,5-6,8-13H2,1H3,(H,20,25)
• InChIKey: WVEUFARGTMPODI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-1'-(6-methylpyridazin-3-yl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.532373
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.6493294
• LogD (pH = 7.4): -1.3096914
• Log P: 0.7477972
• Molar Refractivity: 100.7071 cm^3
• Polarizability: 37.780376 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.41
• LOG S: -2.06
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 4