N-(piperidin-3-ylmethyl)morpholine-4-carboxamide

• ChemBase ID: 34569
• Molecular Formular: C11H21N3O2
• Molecular Mass: 227.30334
• Monoisotopic Mass: 227.16337693
• SMILES: N1(CCOCC1)C(=O)NCC1CNCCC1
• Canonical SMILES: O=C(N1CCOCC1)NCC1CCCNC1
• InChI: InChI=1S/C11H21N3O2/c15-11(14-4-6-16-7-5-14)13-9-10-2-1-3-12-8-10/h10,12H,1-9H2,(H,13,15)
• InChIKey: UISPRHCALQPEKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-3-ylmethyl)morpholine-4-carboxamide
• IUPAC Traditional name: N-(piperidin-3-ylmethyl)morpholine-4-carboxamide
• Synonyms: N-(Piperidin-3-ylmethyl)morpholine-4-carboxamide

Database IDs

• MDL Number: MFCD12027107
• PubChem SID: 160997876
• PubChem CID: 25219518

CALCULATED PROPERTIES

• Acid pKa: 15.514245
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9932938
• LogD (pH = 7.4): -3.448606
• Log P: -0.76539046
• Molar Refractivity: 61.7828 cm^3
• Polarizability: 24.117409 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false