N,N-dimethyl-3-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide

• ChemBase ID: 540264
• Molecular Formular: C20H30N4O3
• Molecular Mass: 374.4772
• Monoisotopic Mass: 374.23179084
• SMILES: C(=O)(N1CC(C(=O)N2CCC(CC2)OCc2cnccc2)CCC1)N(C)C
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N(C)C)N1CCC(CC1)OCc1cccnc1
• InChI: InChI=1S/C20H30N4O3/c1-22(2)20(26)24-10-4-6-17(14-24)19(25)23-11-7-18(8-12-23)27-15-16-5-3-9-21-13-16/h3,5,9,13,17-18H,4,6-8,10-12,14-15H2,1-2H3
• InChIKey: RKMJETQMICNWKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
• IUPAC Traditional name: N,N-dimethyl-3-[4-(pyridin-3-ylmethoxy)piperidine-1-carbonyl]piperidine-1-carboxamide
• Synonyms: N,N-dimethyl-3-{[4-(3-pyridinylmethoxy)-1-piperidinyl]carbonyl}-1-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.19186504
• LogD (pH = 7.4): -0.13254057
• Log P: -0.1317152
• Molar Refractivity: 103.5041 cm^3
• Polarizability: 39.85651 Å^3
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.98
• LOG S: -1.47
• Polar Surface Area: 65.98 Å^2
• Rotatable Bonds: 4