3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione

C11H16N2O2 — CID 59408340

IUPAC3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione
SMILESC#CCN1C(=O)C(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C11H16N2O2/c1-6-7-13-8(14)10(2,3)12-11(4,5)9(13)15/h1,12H,7H2,2-5H3
InChIKeyCJNQECXDLREODH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.14
Rot. Bonds1

About 3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione

3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione (PubChem CID 59408340) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione
PubChem CID59408340
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione
SMILESC#CCN1C(=O)C(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C11H16N2O2/c1-6-7-13-8(14)10(2,3)12-11(4,5)9(13)15/h1,12H,7H2,2-5H3
InChIKeyCJNQECXDLREODH-UHFFFAOYSA-N
XLogP0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione?
The IUPAC name of 3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione (CID 59408340) is 3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione?
The canonical SMILES for 3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione is C#CCN1C(=O)C(C)(C)NC(C)(C)C1=O.
What is the InChIKey of 3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione?
The InChIKey is CJNQECXDLREODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6-7-13-8(14)10(2,3)12-11(4,5)9(13)15/h1,12H,7H2,2-5H3.
What are the key properties of 3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione?
3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione has a molecular weight of 208.26 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-prop-2-ynylpiperazine-2,6-dione is sourced from PubChem (CID 59408340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).