2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide

C10H17N3O3 — CID 66068741

IUPAC2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CC(=O)NC(=O)C1CC
InChIInChI=1S/C10H17N3O3/c1-3-5-11-10(16)13-6-8(14)12-9(15)7(13)4-2/h7H,3-6H2,1-2H3,(H,11,16)(H,12,14,15)
InChIKeyDUFGBUKUWJMQQJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.16
Rot. Bonds3

About 2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide

2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide (PubChem CID 66068741) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide
PubChem CID66068741
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CC(=O)NC(=O)C1CC
InChIInChI=1S/C10H17N3O3/c1-3-5-11-10(16)13-6-8(14)12-9(15)7(13)4-2/h7H,3-6H2,1-2H3,(H,11,16)(H,12,14,15)
InChIKeyDUFGBUKUWJMQQJ-UHFFFAOYSA-N
XLogP-0.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
2-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-methylpentanoic acid
CID 66068985
(2S,3R)-2-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-hydroxybutanoic acid
CID 104966378
3-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]-3-methylbutanoic acid
CID 66067830
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66069349
(2S)-2-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107828246
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66067143
4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione
CID 66069304
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 66069151
N-(4-cyanophenyl)-2-ethyl-3,5-dioxopiperazine-1-carboxamide
CID 66067199
N-(2-amino-2-sulfanylideneethyl)-2-(2-ethyl-3,5-dioxopiperazin-1-yl)-2-oxoacetamide
CID 66069159

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide?
The IUPAC name of 2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide (CID 66068741) is 2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CC(=O)NC(=O)C1CC.
What is the InChIKey of 2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide?
The InChIKey is DUFGBUKUWJMQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-5-11-10(16)13-6-8(14)12-9(15)7(13)4-2/h7H,3-6H2,1-2H3,(H,11,16)(H,12,14,15).
What are the key properties of 2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide?
2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 66068741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).