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

• ChemBase ID: 55821
• Molecular Formular: C16H23ClN2O2
• Molecular Mass: 310.81902
• Monoisotopic Mass: 310.14480567
• SMILES: C1NCCC(C1)COc1ccc(cc1)C(=O)NC1CC1.Cl
• Canonical SMILES: O=C(c1ccc(cc1)OCC1CCNCC1)NC1CC1.Cl
• InChI: InChI=1S/C16H22N2O2.ClH/c19-16(18-14-3-4-14)13-1-5-15(6-2-13)20-11-12-7-9-17-10-8-12;/h1-2,5-6,12,14,17H,3-4,7-11H2,(H,18,19);1H
• InChIKey: FJTRDDBVVKCYIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19103461
• PubChem SID: 162060584
• PubChem CID: 56773789

CALCULATED PROPERTIES

• Acid pKa: 15.163274
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7716069
• LogD (pH = 7.4): -1.3108354
• Log P: 1.4598144
• Molar Refractivity: 78.6819 cm^3
• Polarizability: 30.476402 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