4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide

• ChemBase ID: 669687
• Molecular Formular: C22H31N3O3
• Molecular Mass: 385.49984
• Monoisotopic Mass: 385.23654187
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NCCN2CCCC2)cc1)C1CC1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCN1CCCC1)C1CC1
• InChI: InChI=1S/C22H31N3O3/c26-21(23-11-16-24-12-1-2-13-24)17-5-7-19(8-6-17)28-20-9-14-25(15-10-20)22(27)18-3-4-18/h5-8,18,20H,1-4,9-16H2,(H,23,26)
• InChIKey: CKJOLIDWIZXNBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
• IUPAC Traditional name: 4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-[2-(pyrrolidin-1-yl)ethyl]benzamide
• Synonyms: 4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-[2-(1-pyrrolidinyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.046646
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4237893
• LogD (pH = 7.4): 0.34351233
• Log P: 1.3478296
• Molar Refractivity: 109.1779 cm^3
• Polarizability: 42.01221 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.12
• LOG S: -3.52
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 7