3-tert-butyl-1-cyclopentylpiperazine-2,5-dione

C13H22N2O2 — CID 64958428

IUPAC3-tert-butyl-1-cyclopentylpiperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)CN(C2CCCC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-13(2,3)11-12(17)15(8-10(16)14-11)9-6-4-5-7-9/h9,11H,4-8H2,1-3H3,(H,14,16)
InChIKeyCPWRKIDULBHKAB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds1

About 3-tert-butyl-1-cyclopentylpiperazine-2,5-dione

3-tert-butyl-1-cyclopentylpiperazine-2,5-dione (PubChem CID 64958428) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-tert-butyl-1-cyclopentylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-cyclopentylpiperazine-2,5-dione
PubChem CID64958428
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-tert-butyl-1-cyclopentylpiperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)CN(C2CCCC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-13(2,3)11-12(17)15(8-10(16)14-11)9-6-4-5-7-9/h9,11H,4-8H2,1-3H3,(H,14,16)
InChIKeyCPWRKIDULBHKAB-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-1-cyclopropyl-1,4-diazepane-2,5-dione
CID 64958485
1-cycloheptyl-3-ethylpiperazine-2,5-dione
CID 64960288
3-tert-butyl-1-(2-ethylcyclohexyl)-1,4-diazepane-2,5-dione
CID 64964278
3-tert-butyl-1-(1-methylpiperidin-3-yl)-1,4-diazepane-2,5-dione
CID 64964552
3-tert-butyl-1-(2-methylpentan-2-yl)piperazine-2,5-dione
CID 113472047
3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione
CID 64973656
3-tert-butyl-1-(3-methoxycyclohexyl)-1,4-diazepane-2,5-dione
CID 64882454
3-tert-butyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957328
3-tert-butyl-1-nonylpiperazine-2,5-dione
CID 64880756
3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione
CID 82936711
3-tert-butyl-1-(2,3-dimethylcyclohexyl)-1,4-diazepane-2,5-dione
CID 64959090
3-tert-butyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902440

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-cyclopentylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-cyclopentylpiperazine-2,5-dione (CID 64958428) is 3-tert-butyl-1-cyclopentylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-cyclopentylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-cyclopentylpiperazine-2,5-dione is CC(C)(C)C1NC(=O)CN(C2CCCC2)C1=O.
What is the InChIKey of 3-tert-butyl-1-cyclopentylpiperazine-2,5-dione?
The InChIKey is CPWRKIDULBHKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2,3)11-12(17)15(8-10(16)14-11)9-6-4-5-7-9/h9,11H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 3-tert-butyl-1-cyclopentylpiperazine-2,5-dione?
3-tert-butyl-1-cyclopentylpiperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-cyclopentylpiperazine-2,5-dione is sourced from PubChem (CID 64958428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).