N-cyclopropyl-N-ethyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

• ChemBase ID: 681461
• Molecular Formular: C22H34N4O
• Molecular Mass: 370.53156
• Monoisotopic Mass: 370.27326173
• SMILES: C(=O)(C1CN(C2CCN(CC2)Cc2ccncc2)CCC1)N(C1CC1)CC
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)C1CCN(CC1)Cc1ccncc1)C1CC1
• InChI: InChI=1S/C22H34N4O/c1-2-26(21-5-6-21)22(27)19-4-3-13-25(17-19)20-9-14-24(15-10-20)16-18-7-11-23-12-8-18/h7-8,11-12,19-21H,2-6,9-10,13-17H2,1H3
• InChIKey: FZPNSVRMNBVCPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-ethyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-ethyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
• Synonyms: N-cyclopropyl-N-ethyl-1'-(pyridin-4-ylmethyl)-1,4'-bipiperidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.2775385
• LogD (pH = 7.4): -1.2310908
• Log P: 1.4155763
• Molar Refractivity: 109.6982 cm^3
• Polarizability: 42.81407 Å^3
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.33
• LOG S: -1.74
• Polar Surface Area: 39.68 Å^2
• Rotatable Bonds: 6