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

C16H28N2O2 — CID 79351077

IUPAC3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(C2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C16H28N2O2/c1-8-10-13(20)18(11(9(2)3)12(19)17-10)14-15(4,5)16(14,6)7/h9-11,14H,8H2,1-7H3,(H,17,19)
InChIKeyOAZMYDDGHSFPJQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.18
Rot. Bonds3

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

3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione (PubChem CID 79351077) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
PubChem CID79351077
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C(C)C)N(C2C(C)(C)C2(C)C)C1=O
InChIInChI=1S/C16H28N2O2/c1-8-10-13(20)18(11(9(2)3)12(19)17-10)14-15(4,5)16(14,6)7/h9-11,14H,8H2,1-7H3,(H,17,19)
InChIKeyOAZMYDDGHSFPJQ-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,2-dimethylcyclopentyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 79878827
3-ethyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64901263
1-(3,5-dimethylcyclohexyl)-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64973712
3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 80731819
3-ethyl-1-(3-methylbutan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64959747
3-ethyl-6-propan-2-yl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963679
3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968282
3-ethyl-6-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901074
3-ethyl-1-(2-methyl-3-methylsulfanylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64972041
3-ethyl-6-propan-2-yl-1-(2-propan-2-ylsulfonylethyl)piperazine-2,5-dione
CID 106733557
3-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 115943732
3-ethyl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969006

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione (CID 79351077) is 3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(C2C(C)(C)C2(C)C)C1=O.
What is the InChIKey of 3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione?
The InChIKey is OAZMYDDGHSFPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-8-10-13(20)18(11(9(2)3)12(19)17-10)14-15(4,5)16(14,6)7/h9-11,14H,8H2,1-7H3,(H,17,19).
What are the key properties of 3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione?
3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-propan-2-yl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione is sourced from PubChem (CID 79351077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).