N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide

• ChemBase ID: 51275
• Molecular Formular: C13H25N3O2
• Molecular Mass: 255.3565
• Monoisotopic Mass: 255.19467706
• SMILES: C(=O)(C1CCNCC1)NCCCN1CCOCC1
• Canonical SMILES: O=C(C1CCNCC1)NCCCN1CCOCC1
• InChI: InChI=1S/C13H25N3O2/c17-13(12-2-5-14-6-3-12)15-4-1-7-16-8-10-18-11-9-16/h12,14H,1-11H2,(H,15,17)
• InChIKey: XCIAJKZQODAPLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide
• IUPAC Traditional name: N-[3-(morpholin-4-yl)propyl]piperidine-4-carboxamide
• Synonyms: N-[3-(Morpholin-4-yl)propyl]piperidine-4-carboxamide

Database IDs

• MDL Number: MFCD08442442
• PubChem SID: 162056038
• PubChem CID: 16769263

CALCULATED PROPERTIES

• Acid pKa: 16.042717
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.582067
• LogD (pH = 7.4): -3.6311362
• Log P: -0.84293056
• Molar Refractivity: 71.7532 cm^3
• Polarizability: 28.173874 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%