1-methyl-N-propyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 650840
• Molecular Formular: C16H25N3O
• Molecular Mass: 275.3892
• Monoisotopic Mass: 275.19976244
• SMILES: C(=O)(C1CN(CCC1)C)N(Cc1cnccc1)CCC
• Canonical SMILES: CCCN(C(=O)C1CCCN(C1)C)Cc1cccnc1
• InChI: InChI=1S/C16H25N3O/c1-3-9-19(12-14-6-4-8-17-11-14)16(20)15-7-5-10-18(2)13-15/h4,6,8,11,15H,3,5,7,9-10,12-13H2,1-2H3
• InChIKey: PFNZXDYJMBMWBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-propyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: 1-methyl-N-propyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
• Synonyms: 1-methyl-N-propyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.8403459
• LogD (pH = 7.4): -0.20368877
• Log P: 1.4457282
• Molar Refractivity: 81.5599 cm^3
• Polarizability: 31.691454 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: 3
• H Donor: 0
• Log P: 1.65
• LOG S: -1.32
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 5