6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione

C12H22N2O2 — CID 64901030

IUPAC6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCN1C(=O)C(C)(C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-7-14-8(11(2,3)4)9(15)13-12(5,6)10(14)16/h8H,7H2,1-6H3,(H,13,15)
InChIKeySNYRBIGWYIOOJX-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds1

About 6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione

6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64901030) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID64901030
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCN1C(=O)C(C)(C)NC(=O)C1C(C)(C)C
InChIInChI=1S/C12H22N2O2/c1-7-14-8(11(2,3)4)9(15)13-12(5,6)10(14)16/h8H,7H2,1-6H3,(H,13,15)
InChIKeySNYRBIGWYIOOJX-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.16
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-ethyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione (CID 64901030) is 6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione is CCN1C(=O)C(C)(C)NC(=O)C1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is SNYRBIGWYIOOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-7-14-8(11(2,3)4)9(15)13-12(5,6)10(14)16/h8H,7H2,1-6H3,(H,13,15).
What are the key properties of 6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione?
6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-ethyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64901030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).