3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione

C15H26N2O2 — CID 79351163

IUPAC3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CC2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C15H26N2O2/c1-6-7-10-13(19)17(9-12(18)16-10)8-11-14(2,3)15(11,4)5/h10-11H,6-9H2,1-5H3,(H,16,18)
InChIKeyJWZUDAWFMVETBS-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.80
Rot. Bonds4

About 3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione

3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione (PubChem CID 79351163) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
PubChem CID79351163
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
SMILESCCCC1NC(=O)CN(CC2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C15H26N2O2/c1-6-7-10-13(19)17(9-12(18)16-10)8-11-14(2,3)15(11,4)5/h10-11H,6-9H2,1-5H3,(H,16,18)
InChIKeyJWZUDAWFMVETBS-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione (CID 79351163) is 3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione is CCCC1NC(=O)CN(CC2C(C)(C)C2(C)C)C1=O.
What is the InChIKey of 3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione?
The InChIKey is JWZUDAWFMVETBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-7-10-13(19)17(9-12(18)16-10)8-11-14(2,3)15(11,4)5/h10-11H,6-9H2,1-5H3,(H,16,18).
What are the key properties of 3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione?
3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 79351163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).