4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione

C13H21N3O3 — CID 66076005

IUPAC4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCCC1(C(=O)N2CC(=O)NC(=O)C2C)CCNCC1
InChIInChI=1S/C13H21N3O3/c1-3-13(4-6-14-7-5-13)12(19)16-8-10(17)15-11(18)9(16)2/h9,14H,3-8H2,1-2H3,(H,15,17,18)
InChIKeyGKXATZBKWGQXIM-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.36
Rot. Bonds2

About 4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione

4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66076005) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66076005
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCCC1(C(=O)N2CC(=O)NC(=O)C2C)CCNCC1
InChIInChI=1S/C13H21N3O3/c1-3-13(4-6-14-7-5-13)12(19)16-8-10(17)15-11(18)9(16)2/h9,14H,3-8H2,1-2H3,(H,15,17,18)
InChIKeyGKXATZBKWGQXIM-UHFFFAOYSA-N
XLogP-0.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione
CID 81169141
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
3-methyl-4-(2-methyl-2-piperazin-1-ylpropanoyl)piperazine-2,6-dione
CID 80551076
4-(2-amino-2-methylpentanoyl)-3-methylpiperazine-2,6-dione
CID 66073881
1-[2-(2-methyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 66062486
3-methyl-4-(2-methylpent-2-enoyl)piperazine-2,6-dione
CID 77111736
4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
CID 103514063
4-(4-ethylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 63127785
4-[1-(4-bromophenyl)cyclopropanecarbonyl]-3-methylpiperazine-2,6-dione
CID 66063502
(5-ethyl-2-methylmorpholin-4-yl)-(4-ethylpiperidin-4-yl)methanone
CID 63128072
2-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-2-propylpentanenitrile
CID 66074464

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione (CID 66076005) is 4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione is CCC1(C(=O)N2CC(=O)NC(=O)C2C)CCNCC1.
What is the InChIKey of 4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is GKXATZBKWGQXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-13(4-6-14-7-5-13)12(19)16-8-10(17)15-11(18)9(16)2/h9,14H,3-8H2,1-2H3,(H,15,17,18).
What are the key properties of 4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione?
4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 267.33 g/mol, XLogP of -0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperidine-4-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66076005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).