3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione

C15H26N2O2 — CID 64971349

IUPAC3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(CC2(C)CCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-5-15(4)13(19)17(11(2)12(18)16-15)10-14(3)8-6-7-9-14/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyLROLUNQBJONQRB-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.08
Rot. Bonds3

About 3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione (PubChem CID 64971349) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
PubChem CID64971349
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(CC2(C)CCCC2)C1=O
InChIInChI=1S/C15H26N2O2/c1-5-15(4)13(19)17(11(2)12(18)16-15)10-14(3)8-6-7-9-14/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyLROLUNQBJONQRB-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione with MolForge

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Related Compounds

1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64960278
1-(2,2-dimethylpropyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64963887
1-[(E)-but-2-enyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 107898302
3-ethyl-3,6-dimethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64885851
1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64887569
3-ethyl-3,6-dimethyl-1-pent-4-ynylpiperazine-2,5-dione
CID 114160161
1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64969396
3-ethyl-3,6-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972263
6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 114095172
3-ethyl-3,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290614
3-ethyl-3,6-dimethyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione
CID 113484519
3-ethyl-3,6-dimethyl-1-(2-propylsulfonylethyl)piperazine-2,5-dione
CID 106733595

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione (CID 64971349) is 3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(CC2(C)CCCC2)C1=O.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione?
The InChIKey is LROLUNQBJONQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-15(4)13(19)17(11(2)12(18)16-15)10-14(3)8-6-7-9-14/h11H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64971349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).