1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione

C14H25N3O2 — CID 114506205

IUPAC1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(C2CCN(C)CC2C)C1=O
InChIInChI=1S/C14H25N3O2/c1-5-14(3)13(19)17(9-12(18)15-14)11-6-7-16(4)8-10(11)2/h10-11H,5-9H2,1-4H3,(H,15,18)
InChIKeyJNEGEZWSKRVKQP-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.45
Rot. Bonds2

About 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione

1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 114506205) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione
PubChem CID114506205
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)CN(C2CCN(C)CC2C)C1=O
InChIInChI=1S/C14H25N3O2/c1-5-14(3)13(19)17(9-12(18)15-14)11-6-7-16(4)8-10(11)2/h10-11H,5-9H2,1-4H3,(H,15,18)
InChIKeyJNEGEZWSKRVKQP-UHFFFAOYSA-N
XLogP0.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 114506189
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64966734
1-cyclooctyl-3-ethyl-3-methylpiperazine-2,5-dione
CID 64956879
3-ethyl-3-methyl-1-(2-phenylcyclopropyl)piperazine-2,5-dione
CID 64967320
1-(1,1-dioxothiolan-3-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64957155
1-(1,3-dimethylpiperidin-4-yl)pyrrolidine-2,4-dione
CID 114504190
1-(1,3-dimethylpiperidin-4-yl)-3-(methylamino)pyrrolidin-2-one
CID 114504246
1-(2,3-dimethylcyclopentyl)-3,3-dimethylpiperazine-2,5-dione
CID 64973347
1-(1,3-dimethylpiperidin-4-yl)-3-(ethylamino)piperidin-2-one
CID 114506080
3-cyclopropyl-3-methyl-1-(1-methylpiperidin-4-yl)piperazine-2,5-dione
CID 64960064
3-ethyl-3-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 64970582
3,3-dimethyl-1-(3-methyloxan-4-yl)piperazine-2,5-dione
CID 114241401

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione (CID 114506205) is 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione is CCC1(C)NC(=O)CN(C2CCN(C)CC2C)C1=O.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is JNEGEZWSKRVKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-14(3)13(19)17(9-12(18)15-14)11-6-7-16(4)8-10(11)2/h10-11H,5-9H2,1-4H3,(H,15,18).
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione?
1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 267.37 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 114506205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).