1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione

C14H24N2O2 — CID 114109548

IUPAC1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CC2CC2(C)C)C1=O
InChIInChI=1S/C14H24N2O2/c1-5-10-13(18)16(8-9-7-14(9,3)4)11(6-2)12(17)15-10/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyUJTZJBXVSKIFFH-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.55
Rot. Bonds4

About 1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione

1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione (PubChem CID 114109548) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione
PubChem CID114109548
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CC2CC2(C)C)C1=O
InChIInChI=1S/C14H24N2O2/c1-5-10-13(18)16(8-9-7-14(9,3)4)11(6-2)12(17)15-10/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyUJTZJBXVSKIFFH-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
CID 64968208
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64970352
1-[(1,4-dimethylpiperidin-4-yl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 107165375
3,6-diethyl-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80587044
3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione
CID 64967485
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
CID 64964026
1-but-3-ynyl-3,6-diethylpiperazine-2,5-dione
CID 64972522
3,6-diethyl-1-[(5-methylfuran-2-yl)methyl]piperazine-2,5-dione
CID 64969292
3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409193
1-cyclohexyl-3,6-diethylpiperazine-2,5-dione
CID 64958819

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione?
The IUPAC name of 1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione (CID 114109548) is 1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione is CCC1NC(=O)C(CC)N(CC2CC2(C)C)C1=O.
What is the InChIKey of 1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione?
The InChIKey is UJTZJBXVSKIFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-10-13(18)16(8-9-7-14(9,3)4)11(6-2)12(17)15-10/h9-11H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione?
1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione is sourced from PubChem (CID 114109548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).