1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione

C12H22N2O2 — CID 66069806

IUPAC1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC(C)(C)CCN1C(=O)CNC(C)(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-11(2,3)6-7-14-9(15)8-13-12(4,5)10(14)16/h13H,6-8H2,1-5H3
InChIKeyLALVOTNEQAVVDL-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.16
Rot. Bonds2

About 1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione

1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66069806) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66069806
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC(C)(C)CCN1C(=O)CNC(C)(C)C1=O
InChIInChI=1S/C12H22N2O2/c1-11(2,3)6-7-14-9(15)8-13-12(4,5)10(14)16/h13H,6-8H2,1-5H3
InChIKeyLALVOTNEQAVVDL-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
Cyclo-L-Val-L-Val
CID 637596
N-(2-methylbutyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 49853580
N-(3,3-dimethylbutyl)-2-piperazin-1-ylacetamide
CID 49853674
Valylvaline anhydride
CID 519728
1-(3,3-Dimethylpiperazin-1-yl)-2,2-dimethylpropan-1-one
CID 58562017
5-Tert-butylpiperazin-2-one
CID 59765867
4-(Cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one
CID 16863813
(3R,6S)-3,6-Diisopropylpiperazin-2,5-dion
CID 6545987
4-Methyl-3-(propan-2-yl)piperazin-2-one
CID 86775174
1-Ethyl-3,3-dimethylpiperazin-2-one hydrochloride
CID 75481606
4-(But-2-ynoyl)-3,3-dimethylpiperazin-2-one
CID 106741458

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione (CID 66069806) is 1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione is CC(C)(C)CCN1C(=O)CNC(C)(C)C1=O.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is LALVOTNEQAVVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-11(2,3)6-7-14-9(15)8-13-12(4,5)10(14)16/h13H,6-8H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione?
1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 226.32 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66069806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).