N,N-dimethylpiperazine-1-carboxamide

• ChemBase ID: 74350
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: N1CCN(CC1)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)N1CCNCC1)C
• InChI: InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
• InChIKey: XMFYMWXCIWIHAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylpiperazine-1-carboxamide
• IUPAC Traditional name: N,N-dimethylpiperazine-1-carboxamide
• Synonyms: N,N-dimethylpiperazine-1-carboxamide hydrochloride; 1-(Dimethylcarbamoyl)piperazine; N,N-Dimethylpiperazine-1-carboxamide

Database IDs

• CAS Number: 41340-78-7
• MDL Number: MFCD01050443; MFCD07654774
• PubChem SID: 162039269
• PubChem CID: 712909

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.276323
• LogD (pH = 7.4): -1.5629448
• Log P: -1.0050579
• Molar Refractivity: 43.4848 cm^3
• Polarizability: 16.778328 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -1.162
• Hydrophobicity(logP): 0.262

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl