N,N,3,3-tetramethylpiperazine-1-carboxamide

• ChemBase ID: 247369
• Molecular Formular: C9H19N3O
• Molecular Mass: 185.26666
• Monoisotopic Mass: 185.15281224
• SMILES: C(=O)(N1CC(NCC1)(C)C)N(C)C
• Canonical SMILES: O=C(N1CCNC(C1)(C)C)N(C)C
• InChI: InChI=1S/C9H19N3O/c1-9(2)7-12(6-5-10-9)8(13)11(3)4/h10H,5-7H2,1-4H3
• InChIKey: LQHSBIYDPVGSQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N,3,3-tetramethylpiperazine-1-carboxamide
• IUPAC Traditional name: N,N,3,3-tetramethylpiperazine-1-carboxamide
• Synonyms: N,N,3,3-tetramethylpiperazine-1-carboxamide

Database IDs

• MDL Number: MFCD19285416
• PubChem SID: 164303279
• PubChem CID: 71695501

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.736082
• LogD (pH = 7.4): -1.0033903
• Log P: -0.30790627
• Molar Refractivity: 52.5418 cm^3
• Polarizability: 20.4521 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.3

Product Information

• Purity: 95%