4-(cyclopropylamino)piperidine-4-carboxamide

• ChemBase ID: 258868
• Molecular Formular: C9H17N3O
• Molecular Mass: 183.25078
• Monoisotopic Mass: 183.13716218
• SMILES: C1(C(=O)N)(NC2CC2)CCNCC1
• Canonical SMILES: NC(=O)C1(CCNCC1)NC1CC1
• InChI: InChI=1S/C9H17N3O/c10-8(13)9(12-7-1-2-7)3-5-11-6-4-9/h7,11-12H,1-6H2,(H2,10,13)
• InChIKey: ZEBZPUSAQBYXPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopropylamino)piperidine-4-carboxamide
• IUPAC Traditional name: 4-(cyclopropylamino)piperidine-4-carboxamide
• Synonyms: 4-(cyclopropylamino)piperidine-4-carboxamide

Database IDs

• MDL Number: MFCD12912748
• PubChem SID: 164314778
• PubChem CID: 39870811

CALCULATED PROPERTIES

• Acid pKa: 16.303766
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -5.937252
• LogD (pH = 7.4): -3.8864107
• Log P: -1.1843679
• Molar Refractivity: 50.0076 cm^3
• Polarizability: 20.113432 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.664

Product Information

• Purity: 95%