3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione

C17H30N2O2 — CID 79360326

IUPAC3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)N(C2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C17H30N2O2/c1-8-10(3)12-14(21)19(11(9-2)13(20)18-12)15-16(4,5)17(15,6)7/h10-12,15H,8-9H2,1-7H3,(H,18,20)
InChIKeyPPJNZEYABRPCKT-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.57
Rot. Bonds4

About 3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione

3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione (PubChem CID 79360326) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
PubChem CID79360326
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)N(C2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C17H30N2O2/c1-8-10(3)12-14(21)19(11(9-2)13(20)18-12)15-16(4,5)17(15,6)7/h10-12,15H,8-9H2,1-7H3,(H,18,20)
InChIKeyPPJNZEYABRPCKT-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione (CID 79360326) is 3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione is CCC(C)C1NC(=O)C(CC)N(C2C(C)(C)C2(C)C)C1=O.
What is the InChIKey of 3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione?
The InChIKey is PPJNZEYABRPCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-8-10(3)12-14(21)19(11(9-2)13(20)18-12)15-16(4,5)17(15,6)7/h10-12,15H,8-9H2,1-7H3,(H,18,20).
What are the key properties of 3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione?
3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione is sourced from PubChem (CID 79360326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).