ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate

C10H16N2O4 — CID 2133505

IUPACethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate
SMILESCCOC(=O)CCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H16N2O4/c1-2-16-10(15)4-3-9(14)12-6-5-11-8(13)7-12/h2-7H2,1H3,(H,11,13)
InChIKeyVEZADLWUKTUNMP-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.71
Rot. Bonds4

About ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate

ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate (PubChem CID 2133505) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate
PubChem CID2133505
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate
SMILESCCOC(=O)CCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H16N2O4/c1-2-16-10(15)4-3-9(14)12-6-5-11-8(13)7-12/h2-7H2,1H3,(H,11,13)
InChIKeyVEZADLWUKTUNMP-UHFFFAOYSA-N
XLogP-0.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(3-oxopiperazin-2-yl)acetate
CID 544550
Tert-butyl 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 4935497
Methyl {1-[(ethylamino)carbonyl]-3-oxopiperazin-2-yl}acetate
CID 2954797
Ethyl 2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetate
CID 2996871
Tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
Methyl 2-(3,6-dioxopiperazin-2-yl)acetate
CID 21738762
Tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
methyl 2-[(2S)-3,6-dioxopiperazin-2-yl]acetate
CID 53808487
Ethyl 2-(3,6-dioxopiperazin-2-yl)acetate
CID 355561
methyl 2-[(2R)-3,6-dioxopiperazin-2-yl]acetate
CID 57348447
4-Oxo-4-(3-oxopiperazin-1-yl)butanoic acid
CID 833642
Methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate
CID 2959122

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate?
The IUPAC name of ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate (CID 2133505) is ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate.
What is the SMILES notation for ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate?
The canonical SMILES for ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate is CCOC(=O)CCC(=O)N1CCNC(=O)C1.
What is the InChIKey of ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate?
The InChIKey is VEZADLWUKTUNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-2-16-10(15)4-3-9(14)12-6-5-11-8(13)7-12/h2-7H2,1H3,(H,11,13).
What are the key properties of ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate?
ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate has a molecular weight of 228.25 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-4-(3-oxopiperazin-1-yl)butanoate is sourced from PubChem (CID 2133505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).