6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione

C13H23N3O2 — CID 64967045

IUPAC6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CC1CCN(C)CC1
InChIInChI=1S/C13H23N3O2/c1-3-11-13(18)14-8-12(17)16(11)9-10-4-6-15(2)7-5-10/h10-11H,3-9H2,1-2H3,(H,14,18)
InChIKeyYWJSITWSHVPASZ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.07
Rot. Bonds3

About 6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione

6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione (PubChem CID 64967045) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
PubChem CID64967045
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione
SMILESCCC1C(=O)NCC(=O)N1CC1CCN(C)CC1
InChIInChI=1S/C13H23N3O2/c1-3-11-13(18)14-8-12(17)16(11)9-10-4-6-15(2)7-5-10/h10-11H,3-9H2,1-2H3,(H,14,18)
InChIKeyYWJSITWSHVPASZ-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethyl-1-(2-methylsulfanylethyl)piperazine-2,5-dione
CID 64971596
6-ethyl-1-(4-methoxybutyl)piperazine-2,5-dione
CID 64967343
6-(2-methylpropyl)-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64881230
6-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperazine-2,5-dione
CID 102901696
1-(2-tert-butylsulfonylethyl)-6-ethylpiperazine-2,5-dione
CID 106733638
6-ethyl-1-(2-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64964210
6-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64880047
6-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64879083
5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83249122
6-ethyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64970133
6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64878701
1-ethyl-6-propylpiperazine-2,5-dione
CID 64881606

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione (CID 64967045) is 6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione is CCC1C(=O)NCC(=O)N1CC1CCN(C)CC1.
What is the InChIKey of 6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione?
The InChIKey is YWJSITWSHVPASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-11-13(18)14-8-12(17)16(11)9-10-4-6-15(2)7-5-10/h10-11H,3-9H2,1-2H3,(H,14,18).
What are the key properties of 6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione?
6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione has a molecular weight of 253.35 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64967045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).