1-[1-(5-chloropyridin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide

• ChemBase ID: 848022
• Molecular Formular: C19H27ClN4O
• Molecular Mass: 362.89688
• Monoisotopic Mass: 362.18733918
• SMILES: C(=O)(C1CN(C2CCN(c3ncc(cc3)Cl)CC2)CCC1)NC1CC1
• Canonical SMILES: O=C(C1CCCN(C1)C1CCN(CC1)c1ccc(cn1)Cl)NC1CC1
• InChI: InChI=1S/C19H27ClN4O/c20-15-3-6-18(21-12-15)23-10-7-17(8-11-23)24-9-1-2-14(13-24)19(25)22-16-4-5-16/h3,6,12,14,16-17H,1-2,4-5,7-11,13H2,(H,22,25)
• InChIKey: RQPYTINRVZEXEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(5-chloropyridin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
• IUPAC Traditional name: 1-[1-(5-chloropyridin-2-yl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
• Synonyms: 1'-(5-chloropyridin-2-yl)-N-cyclopropyl-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.565873
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2025299
• LogD (pH = 7.4): 0.11054203
• Log P: 2.2002416
• Molar Refractivity: 101.0571 cm^3
• Polarizability: 38.777454 Å^3
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.05
• LOG S: -3.6
• Polar Surface Area: 48.47 Å^2
• Rotatable Bonds: 4