1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione

C15H27N3O2 — CID 114506189

IUPAC1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C2CCN(C)CC2C)C1=O
InChIInChI=1S/C15H27N3O2/c1-6-15(4)14(20)18(11(3)13(19)16-15)12-7-8-17(5)9-10(12)2/h10-12H,6-9H2,1-5H3,(H,16,19)
InChIKeyABFHVQLFDDEWJI-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.84
Rot. Bonds2

About 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione

1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 114506189) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID114506189
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)N(C2CCN(C)CC2C)C1=O
InChIInChI=1S/C15H27N3O2/c1-6-15(4)14(20)18(11(3)13(19)16-15)12-7-8-17(5)9-10(12)2/h10-12H,6-9H2,1-5H3,(H,16,19)
InChIKeyABFHVQLFDDEWJI-UHFFFAOYSA-N
XLogP0.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

Analyze 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-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

1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 114506205
1-cyclobutyl-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64969396
3,6-diethyl-3-methyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970369
1-(1-cyclopropylbutan-2-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64971875
3-ethyl-3,6-dimethyl-1-(3-methylcyclohexyl)piperazine-2,5-dione
CID 64960224
3-ethyl-3,6-dimethyl-1-[(4-methylmorpholin-2-yl)methyl]piperazine-2,5-dione
CID 79078125
1-(cyclobutylmethyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64960278
3-ethyl-3,6-dimethyl-1-[2-(4-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972263
3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971349
3-ethyl-3,6-dimethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210991
1-(3,3-dimethylbutyl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64887569
3-cyclopropyl-3,6-dimethyl-1-(2-methylcyclopropyl)piperazine-2,5-dione
CID 64969515

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione (CID 114506189) is 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)N(C2CCN(C)CC2C)C1=O.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is ABFHVQLFDDEWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-15(4)14(20)18(11(3)13(19)16-15)12-7-8-17(5)9-10(12)2/h10-12H,6-9H2,1-5H3,(H,16,19).
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione?
1-(1,3-dimethylpiperidin-4-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 281.40 g/mol, XLogP of 0.84, 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-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 114506189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).