3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione

C15H27N3O2 — CID 64967485

IUPAC3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CC2CCCN(C)C2)C1=O
InChIInChI=1S/C15H27N3O2/c1-4-12-15(20)18(13(5-2)14(19)16-12)10-11-7-6-8-17(3)9-11/h11-13H,4-10H2,1-3H3,(H,16,19)
InChIKeyHOYOUEVWBJKQCF-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.84
Rot. Bonds4

About 3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione

3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione (PubChem CID 64967485) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione
PubChem CID64967485
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CC2CCCN(C)C2)C1=O
InChIInChI=1S/C15H27N3O2/c1-4-12-15(20)18(13(5-2)14(19)16-12)10-11-7-6-8-17(3)9-11/h11-13H,4-10H2,1-3H3,(H,16,19)
InChIKeyHOYOUEVWBJKQCF-UHFFFAOYSA-N
XLogP0.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210
3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
CID 64968208
3,6-diethyl-1-[(4-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 64970352
1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
CID 64964026
3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64963527
1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 114109548
3-[(1-methylpiperidin-3-yl)methyl]-2-propan-2-yl-5-propylimidazolidin-4-one
CID 83248207
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
5-ethyl-3-[(1-methylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83255713
1-(cyclopentylmethyl)-3,6-dipropylpiperazine-2,5-dione
CID 64874943
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione (CID 64967485) is 3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione is CCC1NC(=O)C(CC)N(CC2CCCN(C)C2)C1=O.
What is the InChIKey of 3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione?
The InChIKey is HOYOUEVWBJKQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-12-15(20)18(13(5-2)14(19)16-12)10-11-7-6-8-17(3)9-11/h11-13H,4-10H2,1-3H3,(H,16,19).
What are the key properties of 3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione?
3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-[(1-methylpiperidin-3-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64967485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).