4-(cyclopentylamino)-1-methylpiperidine-4-carboxamide

• ChemBase ID: 239986
• Molecular Formular: C12H23N3O
• Molecular Mass: 225.33052
• Monoisotopic Mass: 225.18411237
• SMILES: C1(C(=O)N)(NC2CCCC2)CCN(CC1)C
• Canonical SMILES: CN1CCC(CC1)(NC1CCCC1)C(=O)N
• InChI: InChI=1S/C12H23N3O/c1-15-8-6-12(7-9-15,11(13)16)14-10-4-2-3-5-10/h10,14H,2-9H2,1H3,(H2,13,16)
• InChIKey: KSZPAAJYYPTYIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentylamino)-1-methylpiperidine-4-carboxamide
• IUPAC Traditional name: 4-(cyclopentylamino)-1-methylpiperidine-4-carboxamide
• Synonyms: 4-(cyclopentylamino)-1-methylpiperidine-4-carboxamide

Database IDs

• MDL Number: MFCD09959883
• PubChem SID: 164295896
• PubChem CID: 46741288

CALCULATED PROPERTIES

• Acid pKa: 16.445576
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.4942374
• LogD (pH = 7.4): -2.1792674
• Log P: 0.08781736
• Molar Refractivity: 64.5043 cm^3
• Polarizability: 25.634712 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.1

Product Information

• Purity: 95%