3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione

C14H19N3O2 — CID 64901097

IUPAC3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(Cc2cccnc2)C1=O
InChIInChI=1S/C14H19N3O2/c1-4-11-12(18)17(14(2,3)13(19)16-11)9-10-6-5-7-15-8-10/h5-8,11H,4,9H2,1-3H3,(H,16,19)
InChIKeyUIMBKYXLLVYTCF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.10
Rot. Bonds3

About 3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione

3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64901097) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
PubChem CID64901097
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(Cc2cccnc2)C1=O
InChIInChI=1S/C14H19N3O2/c1-4-11-12(18)17(14(2,3)13(19)16-11)9-10-6-5-7-15-8-10/h5-8,11H,4,9H2,1-3H3,(H,16,19)
InChIKeyUIMBKYXLLVYTCF-UHFFFAOYSA-N
XLogP1.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)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

3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64902816
3-ethyl-6,6-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,5-dione
CID 79260905
3-ethyl-6,6-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82870547
6-ethyl-3,3,6-trimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64900851
6,6-dimethyl-1-[(5-methyl-3-pyridinyl)methyl]-3-propylpiperazine-2,5-dione
CID 102879738
6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874564
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-6,6-dimethylpiperazine-2,5-dione
CID 64901100
6,6-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64873772
3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
CID 64903586
1-[(3-fluorophenyl)methyl]-3,6,6-trimethylpiperazine-2,5-dione
CID 64875476
3,3,6,6-tetramethyl-4-(pyridin-3-ylmethyl)piperazin-2-one
CID 117023878
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione (CID 64901097) is 3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione is CCC1NC(=O)C(C)(C)N(Cc2cccnc2)C1=O.
What is the InChIKey of 3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is UIMBKYXLLVYTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-11-12(18)17(14(2,3)13(19)16-11)9-10-6-5-7-15-8-10/h5-8,11H,4,9H2,1-3H3,(H,16,19).
What are the key properties of 3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64901097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).