3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione

C14H20N4O2 — CID 79250855

IUPAC3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione
SMILESCCNc1ccnc(CN2CC(=O)NC(=O)C2CC)c1
InChIInChI=1S/C14H20N4O2/c1-3-12-14(20)17-13(19)9-18(12)8-11-7-10(15-4-2)5-6-16-11/h5-7,12H,3-4,8-9H2,1-2H3,(H,15,16)(H,17,19,20)
InChIKeyZAKYSEQIDJAIIU-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.75
Rot. Bonds5

About 3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione

3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione (PubChem CID 79250855) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione
PubChem CID79250855
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione
SMILESCCNc1ccnc(CN2CC(=O)NC(=O)C2CC)c1
InChIInChI=1S/C14H20N4O2/c1-3-12-14(20)17-13(19)9-18(12)8-11-7-10(15-4-2)5-6-16-11/h5-7,12H,3-4,8-9H2,1-2H3,(H,15,16)(H,17,19,20)
InChIKeyZAKYSEQIDJAIIU-UHFFFAOYSA-N
XLogP0.75
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione
CID 103056602
4-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carbothioamide
CID 66067353
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-N-ethylpyridin-4-amine
CID 102728154
6-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904217
N-ethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-4-amine
CID 79251269
3-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carbothioamide
CID 66067734
4-[[2-(aminomethyl)-4-fluorophenyl]methyl]-3-ethylpiperazine-2,6-dione
CID 66069266
N-ethyl-2-[(3-methylpyrrolidin-1-yl)methyl]pyridin-4-amine
CID 79245667
1-[[4-(ethylamino)-2-pyridinyl]methyl]-6-methylpiperidine-3-carboxamide
CID 79245243
3-ethyl-4-(4-hydrazinylpyridine-2-carbonyl)piperazine-2,6-dione
CID 66067262
4-[(3-amino-5-bromophenyl)methyl]-3-ethylpiperazine-2,6-dione
CID 103349987
4-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]-3-methylbenzenecarbothioamide
CID 114481983

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione (CID 79250855) is 3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione is CCNc1ccnc(CN2CC(=O)NC(=O)C2CC)c1.
What is the InChIKey of 3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione?
The InChIKey is ZAKYSEQIDJAIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-12-14(20)17-13(19)9-18(12)8-11-7-10(15-4-2)5-6-16-11/h5-7,12H,3-4,8-9H2,1-2H3,(H,15,16)(H,17,19,20).
What are the key properties of 3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione?
3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione has a molecular weight of 276.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione is sourced from PubChem (CID 79250855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).