N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 506955
• Molecular Formular: C27H35N3O3
• Molecular Mass: 449.5851
• Monoisotopic Mass: 449.267842
• SMILES: N(C(=O)c1ccc(OC2CCN(Cc3ncccc3)CC2)cc1)(CC1CC1)CC1OCCC1
• Canonical SMILES: O=C(c1ccc(cc1)OC1CCN(CC1)Cc1ccccn1)N(CC1CCCO1)CC1CC1
• InChI: InChI=1S/C27H35N3O3/c31-27(30(18-21-6-7-21)20-26-5-3-17-32-26)22-8-10-24(11-9-22)33-25-12-15-29(16-13-25)19-23-4-1-2-14-28-23/h1-2,4,8-11,14,21,25-26H,3,5-7,12-13,15-20H2
• InChIKey: WQUCKELVKBYSBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-{[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-(cyclopropylmethyl)-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}-N-(tetrahydro-2-furanylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.2661511
• LogD (pH = 7.4): 2.7308614
• Log P: 2.927812
• Molar Refractivity: 128.9743 cm^3
• Polarizability: 50.183895 Å^3
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.02
• LOG S: -4.11
• Polar Surface Area: 54.9 Å^2
• Rotatable Bonds: 9