4-(morpholin-4-yl)piperidine-4-carboxamide

• ChemBase ID: 18029
• Molecular Formular: C10H19N3O2
• Molecular Mass: 213.27676
• Monoisotopic Mass: 213.14772686
• SMILES: C1(N2CCOCC2)(C(=O)N)CCNCC1
• Canonical SMILES: NC(=O)C1(CCNCC1)N1CCOCC1
• InChI: InChI=1S/C10H19N3O2/c11-9(14)10(1-3-12-4-2-10)13-5-7-15-8-6-13/h12H,1-8H2,(H2,11,14)
• InChIKey: OEDOITYEASREQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)piperidine-4-carboxamide
• IUPAC Traditional name: 4-(morpholin-4-yl)piperidine-4-carboxamide
• Synonyms: 4-Morpholin-4-yl-piperidine-4-carboxylic acid amide

Database IDs

• MDL Number: MFCD07801137
• PubChem SID: 160981336
• PubChem CID: 3016833

CALCULATED PROPERTIES

• Acid pKa: 16.150764
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.8053174
• LogD (pH = 7.4): -4.0095916
• Log P: -1.485385
• Molar Refractivity: 57.1656 cm^3
• Polarizability: 22.662224 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false