N-[2-(morpholin-4-yl)ethyl]piperidine-4-carboxamide

• ChemBase ID: 254747
• Molecular Formular: C12H23N3O2
• Molecular Mass: 241.32992
• Monoisotopic Mass: 241.17902699
• SMILES: C(=O)(NCCN1CCOCC1)C1CCNCC1
• Canonical SMILES: O=C(C1CCNCC1)NCCN1CCOCC1
• InChI: InChI=1S/C12H23N3O2/c16-12(11-1-3-13-4-2-11)14-5-6-15-7-9-17-10-8-15/h11,13H,1-10H2,(H,14,16)
• InChIKey: BOZAPDLORSPREV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(morpholin-4-yl)ethyl]piperidine-4-carboxamide
• IUPAC Traditional name: N-[2-(morpholin-4-yl)ethyl]piperidine-4-carboxamide
• Synonyms: N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

Database IDs

• MDL Number: MFCD03137409
• PubChem SID: 164310657
• PubChem CID: 5157518

CALCULATED PROPERTIES

• Acid pKa: 15.951431
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.8304076
• LogD (pH = 7.4): -3.5659523
• Log P: -0.9028903
• Molar Refractivity: 66.8878 cm^3
• Polarizability: 26.335466 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): -0.864

Product Information

• Purity: 95%