1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione

C17H30N2O2 — CID 82924934

IUPAC1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC(C)C)N(C2CCCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-4-14-17(21)19(13-9-7-5-6-8-10-13)15(11-12(2)3)16(20)18-14/h12-15H,4-11H2,1-3H3,(H,18,20)
InChIKeyCWTHYYSPAKOLOZ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.86
Rot. Bonds4

About 1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione

1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 82924934) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
PubChem CID82924934
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC(C)C)N(C2CCCCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-4-14-17(21)19(13-9-7-5-6-8-10-13)15(11-12(2)3)16(20)18-14/h12-15H,4-11H2,1-3H3,(H,18,20)
InChIKeyCWTHYYSPAKOLOZ-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3,6-diethylpiperazine-2,5-dione
CID 64958819
1-cycloheptyl-3-methyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 82936794
1-cyclopentyl-3-ethyl-6-propylpiperazine-2,5-dione
CID 82937316
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229
3,6-diethyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960183
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64959657
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387
3-ethyl-6-(2-methylpropyl)-1-pentylpiperazine-2,5-dione
CID 64901650
1-cycloheptyl-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64959767
2-cyclopentyl-3-cyclopropyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83242377

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione (CID 82924934) is 1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione is CCC1NC(=O)C(CC(C)C)N(C2CCCCCC2)C1=O.
What is the InChIKey of 1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is CWTHYYSPAKOLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-14-17(21)19(13-9-7-5-6-8-10-13)15(11-12(2)3)16(20)18-14/h12-15H,4-11H2,1-3H3,(H,18,20).
What are the key properties of 1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione?
1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 82924934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).