1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione

C17H30N2O2 — CID 64964115

IUPAC1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1CCC1CCCC1
InChIInChI=1S/C17H30N2O2/c1-4-14-15(20)18-17(5-2,6-3)16(21)19(14)12-11-13-9-7-8-10-13/h13-14H,4-12H2,1-3H3,(H,18,20)
InChIKeySLWJJVUIXKMWIL-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.86
Rot. Bonds6

About 1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione

1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione (PubChem CID 64964115) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione
PubChem CID64964115
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(CC)(CC)C(=O)N1CCC1CCCC1
InChIInChI=1S/C17H30N2O2/c1-4-14-15(20)18-17(5-2,6-3)16(21)19(14)12-11-13-9-7-8-10-13/h13-14H,4-12H2,1-3H3,(H,18,20)
InChIKeySLWJJVUIXKMWIL-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
CID 64964026
3,3-diethyl-1,6-dipropylpiperazine-2,5-dione
CID 64886735
3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64886924
3,3,6-triethyl-1-(3-ethylpentan-3-yl)piperazine-2,5-dione
CID 65043214
1-(cyclobutylmethyl)-3,6-diethyl-3-methylpiperazine-2,5-dione
CID 64960376
6-ethyl-3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002967
1-(3-ethoxypropyl)-3,3-diethyl-6-propylpiperazine-2,5-dione
CID 65178420
3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409497
3,3-diethyl-6-(2-methylpropyl)-1-propylpiperazine-2,5-dione
CID 64884826
3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210995
1-(cyclobutylmethyl)-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960315
6-cyclopropyl-1-(3,3-dimethylbutyl)-3,3-diethylpiperazine-2,5-dione
CID 64886170

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione (CID 64964115) is 1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione is CCC1C(=O)NC(CC)(CC)C(=O)N1CCC1CCCC1.
What is the InChIKey of 1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione?
The InChIKey is SLWJJVUIXKMWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-14-15(20)18-17(5-2,6-3)16(21)19(14)12-11-13-9-7-8-10-13/h13-14H,4-12H2,1-3H3,(H,18,20).
What are the key properties of 1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione?
1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentylethyl)-3,3,6-triethylpiperazine-2,5-dione is sourced from PubChem (CID 64964115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).