3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione

C14H22N2O2 — CID 114014199

IUPAC3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
SMILESCC(C)=CCN1C(=O)C(C2CC2)NC(=O)C1(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)7-8-16-12(17)11(10-5-6-10)15-13(18)14(16,3)4/h7,10-11H,5-6,8H2,1-4H3,(H,15,18)
InChIKeyUPVRIPYXRPWODM-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.47
Rot. Bonds3

About 3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione

3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione (PubChem CID 114014199) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
PubChem CID114014199
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
SMILESCC(C)=CCN1C(=O)C(C2CC2)NC(=O)C1(C)C
InChIInChI=1S/C14H22N2O2/c1-9(2)7-8-16-12(17)11(10-5-6-10)15-13(18)14(16,3)4/h7,10-11H,5-6,8H2,1-4H3,(H,15,18)
InChIKeyUPVRIPYXRPWODM-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione (CID 114014199) is 3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione is CC(C)=CCN1C(=O)C(C2CC2)NC(=O)C1(C)C.
What is the InChIKey of 3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
The InChIKey is UPVRIPYXRPWODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)7-8-16-12(17)11(10-5-6-10)15-13(18)14(16,3)4/h7,10-11H,5-6,8H2,1-4H3,(H,15,18).
What are the key properties of 3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione?
3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione is sourced from PubChem (CID 114014199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).