1-(3,3-dimethylbutyl)piperazine-2,5-dione

C10H18N2O2 — CID 13308148

IUPAC1-(3,3-dimethylbutyl)piperazine-2,5-dione
SMILESCC(C)(C)CCN1CC(=O)NCC1=O
InChIInChI=1S/C10H18N2O2/c1-10(2,3)4-5-12-7-8(13)11-6-9(12)14/h4-7H2,1-3H3,(H,11,13)
InChIKeyBNAZDZLKROUSRU-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.38
Rot. Bonds2

About 1-(3,3-dimethylbutyl)piperazine-2,5-dione

1-(3,3-dimethylbutyl)piperazine-2,5-dione (PubChem CID 13308148) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)piperazine-2,5-dione
PubChem CID13308148
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(3,3-dimethylbutyl)piperazine-2,5-dione
SMILESCC(C)(C)CCN1CC(=O)NCC1=O
InChIInChI=1S/C10H18N2O2/c1-10(2,3)4-5-12-7-8(13)11-6-9(12)14/h4-7H2,1-3H3,(H,11,13)
InChIKeyBNAZDZLKROUSRU-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)piperazine-2,5-dione?
The IUPAC name of 1-(3,3-dimethylbutyl)piperazine-2,5-dione (CID 13308148) is 1-(3,3-dimethylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3,3-dimethylbutyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3,3-dimethylbutyl)piperazine-2,5-dione is CC(C)(C)CCN1CC(=O)NCC1=O.
What is the InChIKey of 1-(3,3-dimethylbutyl)piperazine-2,5-dione?
The InChIKey is BNAZDZLKROUSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)4-5-12-7-8(13)11-6-9(12)14/h4-7H2,1-3H3,(H,11,13).
What are the key properties of 1-(3,3-dimethylbutyl)piperazine-2,5-dione?
1-(3,3-dimethylbutyl)piperazine-2,5-dione has a molecular weight of 198.27 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 13308148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).