1-tert-butyl-4-methylpiperazine-2,5-dione

C9H16N2O2 — CID 117026304

IUPAC1-tert-butyl-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(C(C)(C)C)CC1=O
InChIInChI=1S/C9H16N2O2/c1-9(2,3)11-6-7(12)10(4)5-8(11)13/h5-6H2,1-4H3
InChIKeyUQMRNGZDFKMQPR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.09
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine-2,5-dione

1-tert-butyl-4-methylpiperazine-2,5-dione (PubChem CID 117026304) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine-2,5-dione
PubChem CID117026304
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-tert-butyl-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(C(C)(C)C)CC1=O
InChIInChI=1S/C9H16N2O2/c1-9(2,3)11-6-7(12)10(4)5-8(11)13/h5-6H2,1-4H3
InChIKeyUQMRNGZDFKMQPR-UHFFFAOYSA-N
XLogP0.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-tert-butylpyrrolidin-2-one;ethane
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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-tert-butyl-4-methylpiperazine-2,5-dione (CID 117026304) is 1-tert-butyl-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine-2,5-dione is CN1CC(=O)N(C(C)(C)C)CC1=O.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine-2,5-dione?
The InChIKey is UQMRNGZDFKMQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,3)11-6-7(12)10(4)5-8(11)13/h5-6H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine-2,5-dione?
1-tert-butyl-4-methylpiperazine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117026304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).