N-cyclopropyl-5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-amine

• ChemBase ID: 680147
• Molecular Formular: C22H27N3O
• Molecular Mass: 349.46928
• Monoisotopic Mass: 349.2154125
• SMILES: C(=O)(N1CCC(CC1)CCc1ccccc1)c1cnc(NC2CC2)cc1
• Canonical SMILES: O=C(c1ccc(nc1)NC1CC1)N1CCC(CC1)CCc1ccccc1
• InChI: InChI=1S/C22H27N3O/c26-22(19-8-11-21(23-16-19)24-20-9-10-20)25-14-12-18(13-15-25)7-6-17-4-2-1-3-5-17/h1-5,8,11,16,18,20H,6-7,9-10,12-15H2,(H,23,24)
• InChIKey: QRUHLLBWXYAOME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-amine
• IUPAC Traditional name: N-cyclopropyl-5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-amine
• Synonyms: N-cyclopropyl-5-{[4-(2-phenylethyl)piperidin-1-yl]carbonyl}pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6264277
• LogD (pH = 7.4): 3.7449331
• Log P: 3.7466927
• Molar Refractivity: 106.479 cm^3
• Polarizability: 39.88394 Å^3
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.83
• LOG S: -5.02
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 6