6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione

C9H14N2O2 — CID 64883661

IUPAC6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C2CC2)NC1=O
InChIInChI=1S/C9H14N2O2/c1-9(2)8(13)10-6(5-3-4-5)7(12)11-9/h5-6H,3-4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyWTZWBNZTXKXFFG-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.21
Rot. Bonds1

About 6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione

6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64883661) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID64883661
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)C(C2CC2)NC1=O
InChIInChI=1S/C9H14N2O2/c1-9(2)8(13)10-6(5-3-4-5)7(12)11-9/h5-6H,3-4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyWTZWBNZTXKXFFG-UHFFFAOYSA-N
XLogP-0.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione (CID 64883661) is 6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione is CC1(C)NC(=O)C(C2CC2)NC1=O.
What is the InChIKey of 6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is WTZWBNZTXKXFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(2)8(13)10-6(5-3-4-5)7(12)11-9/h5-6H,3-4H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of 6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione?
6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 182.22 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64883661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).