N,N-dimethyl-1-{1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carbonyl}piperidin-4-amine

• ChemBase ID: 455028
• Molecular Formular: C24H39N5O
• Molecular Mass: 413.59936
• Monoisotopic Mass: 413.31546089
• SMILES: C(=O)(C1CN(C2CCN(CC2)Cc2ccncc2)CCC1)N1CCC(CC1)N(C)C
• Canonical SMILES: CN(C1CCN(CC1)C(=O)C1CCCN(C1)C1CCN(CC1)Cc1ccncc1)C
• InChI: InChI=1S/C24H39N5O/c1-26(2)22-9-16-28(17-10-22)24(30)21-4-3-13-29(19-21)23-7-14-27(15-8-23)18-20-5-11-25-12-6-20/h5-6,11-12,21-23H,3-4,7-10,13-19H2,1-2H3
• InChIKey: XCTHESPGLBMOMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-1-{1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carbonyl}piperidin-4-amine
• IUPAC Traditional name: N,N-dimethyl-1-{1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carbonyl}piperidin-4-amine
• Synonyms: N,N-dimethyl-1-{[1'-(pyridin-4-ylmethyl)-1,4'-bipiperidin-3-yl]carbonyl}piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -7.489833
• LogD (pH = 7.4): -4.3410506
• Log P: 0.62001
• Molar Refractivity: 123.1895 cm^3
• Polarizability: 48.02698 Å^3
• Polar Surface Area: 42.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.24
• LOG S: -1.97
• Polar Surface Area: 42.92 Å^2
• Rotatable Bonds: 5