N,N-dimethyl-3-{1-[4-(pyrrolidine-1-carbonyl)pyridin-2-yl]piperidin-3-yl}propanamide

• ChemBase ID: 682185
• Molecular Formular: C20H30N4O2
• Molecular Mass: 358.4778
• Monoisotopic Mass: 358.23687622
• SMILES: C(=O)(N1CCCC1)c1cc(N2CC(CCC(=O)N(C)C)CCC2)ncc1
• Canonical SMILES: O=C(N(C)C)CCC1CCCN(C1)c1nccc(c1)C(=O)N1CCCC1
• InChI: InChI=1S/C20H30N4O2/c1-22(2)19(25)8-7-16-6-5-13-24(15-16)18-14-17(9-10-21-18)20(26)23-11-3-4-12-23/h9-10,14,16H,3-8,11-13,15H2,1-2H3
• InChIKey: HLGPKBKLMGGJJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-{1-[4-(pyrrolidine-1-carbonyl)pyridin-2-yl]piperidin-3-yl}propanamide
• IUPAC Traditional name: N,N-dimethyl-3-{1-[4-(pyrrolidine-1-carbonyl)pyridin-2-yl]piperidin-3-yl}propanamide
• Synonyms: N,N-dimethyl-3-{1-[4-(1-pyrrolidinylcarbonyl)-2-pyridinyl]-3-piperidinyl}propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5306579
• LogD (pH = 7.4): 1.5857556
• Log P: 1.5865088
• Molar Refractivity: 104.1526 cm^3
• Polarizability: 38.942036 Å^3
• Polar Surface Area: 56.75 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: 0.15
• LOG S: -3.25
• Polar Surface Area: 56.75 Å^2
• Rotatable Bonds: 5