N-cyclopropyl-4-(piperidin-3-ylmethoxy)benzamide hydrochloride

• ChemBase ID: 55800
• Molecular Formular: C16H23ClN2O2
• Molecular Mass: 310.81902
• Monoisotopic Mass: 310.14480567
• SMILES: C1CNCC(C1)COc1ccc(cc1)C(=O)NC1CC1.Cl
• Canonical SMILES: O=C(c1ccc(cc1)OCC1CCCNC1)NC1CC1.Cl
• InChI: InChI=1S/C16H22N2O2.ClH/c19-16(18-14-5-6-14)13-3-7-15(8-4-13)20-11-12-2-1-9-17-10-12;/h3-4,7-8,12,14,17H,1-2,5-6,9-11H2,(H,18,19);1H
• InChIKey: MEFPGJGRJCKIHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-(piperidin-3-ylmethoxy)benzamide hydrochloride
• IUPAC Traditional name: N-cyclopropyl-4-(piperidin-3-ylmethoxy)benzamide hydrochloride
• Synonyms: N-Cyclopropyl-4-(piperidin-3-ylmethoxy)benzamide hydrochloride

Database IDs

• MDL Number: MFCD19103439
• PubChem SID: 162060563
• PubChem CID: 56773769

CALCULATED PROPERTIES

• Acid pKa: 15.163173
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7205164
• LogD (pH = 7.4): -1.0629287
• Log P: 1.5013711
• Molar Refractivity: 78.5831 cm^3
• Polarizability: 30.4764 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false