2-(4-aminopiperidin-1-yl)-N-cyclopropylacetamide

• ChemBase ID: 34255
• Molecular Formular: C10H19N3O
• Molecular Mass: 197.27736
• Monoisotopic Mass: 197.15281224
• SMILES: C(=O)(NC1CC1)CN1CCC(CC1)N
• Canonical SMILES: NC1CCN(CC1)CC(=O)NC1CC1
• InChI: InChI=1S/C10H19N3O/c11-8-3-5-13(6-4-8)7-10(14)12-9-1-2-9/h8-9H,1-7,11H2,(H,12,14)
• InChIKey: APGIQOUASPAAJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-aminopiperidin-1-yl)-N-cyclopropylacetamide
• IUPAC Traditional name: 2-(4-aminopiperidin-1-yl)-N-cyclopropylacetamide
• Synonyms: 2-(4-Aminopiperidin-1-yl)-N-cyclopropylacetamide; 2-(4-amino-1-piperidinyl)-N-cyclopropylacetamide

Database IDs

• MDL Number: MFCD09045554
• PubChem SID: 160997562
• PubChem CID: 16773217

CALCULATED PROPERTIES

• Acid pKa: 15.781224
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -5.3875556
• LogD (pH = 7.4): -4.0067
• Log P: -1.2383715
• Molar Refractivity: 55.3846 cm^3
• Polarizability: 21.952879 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false