6-tert-butyl-1-methylpiperazine-2,5-dione

C9H16N2O2 — CID 64881639

IUPAC6-tert-butyl-1-methylpiperazine-2,5-dione
SMILESCN1C(=O)CNC(=O)C1C(C)(C)C
InChIInChI=1S/C9H16N2O2/c1-9(2,3)7-8(13)10-5-6(12)11(7)4/h7H,5H2,1-4H3,(H,10,13)
InChIKeyRDHHWUKEXMVKFQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.01
Rot. Bonds

About 6-tert-butyl-1-methylpiperazine-2,5-dione

6-tert-butyl-1-methylpiperazine-2,5-dione (PubChem CID 64881639) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 6-tert-butyl-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-methylpiperazine-2,5-dione
PubChem CID64881639
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name6-tert-butyl-1-methylpiperazine-2,5-dione
SMILESCN1C(=O)CNC(=O)C1C(C)(C)C
InChIInChI=1S/C9H16N2O2/c1-9(2,3)7-8(13)10-5-6(12)11(7)4/h7H,5H2,1-4H3,(H,10,13)
InChIKeyRDHHWUKEXMVKFQ-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-methylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-methylpiperazine-2,5-dione (CID 64881639) is 6-tert-butyl-1-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-methylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-methylpiperazine-2,5-dione is CN1C(=O)CNC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-methylpiperazine-2,5-dione?
The InChIKey is RDHHWUKEXMVKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,3)7-8(13)10-5-6(12)11(7)4/h7H,5H2,1-4H3,(H,10,13).
What are the key properties of 6-tert-butyl-1-methylpiperazine-2,5-dione?
6-tert-butyl-1-methylpiperazine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 64881639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).