2-(2-methylpyrrolidin-1-yl)-5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyridine

• ChemBase ID: 843122
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: C(=O)(N1CCC(CC1)CCc1ccccc1)c1cnc(N2C(CCC2)C)cc1
• Canonical SMILES: CC1CCCN1c1ccc(cn1)C(=O)N1CCC(CC1)CCc1ccccc1
• InChI: InChI=1S/C24H31N3O/c1-19-6-5-15-27(19)23-12-11-22(18-25-23)24(28)26-16-13-21(14-17-26)10-9-20-7-3-2-4-8-20/h2-4,7-8,11-12,18-19,21H,5-6,9-10,13-17H2,1H3
• InChIKey: MENFNZMMFQQMIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylpyrrolidin-1-yl)-5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyridine
• IUPAC Traditional name: 2-(2-methylpyrrolidin-1-yl)-5-[4-(2-phenylethyl)piperidine-1-carbonyl]pyridine
• Synonyms: 2-(2-methylpyrrolidin-1-yl)-5-{[4-(2-phenylethyl)piperidin-1-yl]carbonyl}pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.656844
• LogD (pH = 7.4): 4.7376246
• Log P: 4.738766
• Molar Refractivity: 115.4624 cm^3
• Polarizability: 43.57153 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.26
• LOG S: -5.59
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5