4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide

C12H23N3O3 — CID 78918540

IUPAC4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
SMILESCCOCCCC(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-2-18-9-3-4-11(16)14-10-12(17)15-7-5-13-6-8-15/h13H,2-10H2,1H3,(H,14,16)
InChIKeyWCEMBFZLYNQFPF-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.65
Rot. Bonds7

About 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide

4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide (PubChem CID 78918540) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide.

Molecular Properties

Compound Name4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
PubChem CID78918540
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
SMILESCCOCCCC(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-2-18-9-3-4-11(16)14-10-12(17)15-7-5-13-6-8-15/h13H,2-10H2,1H3,(H,14,16)
InChIKeyWCEMBFZLYNQFPF-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176259
2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176260
3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 82960429
ethane;4-ethoxy-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 156820072
3-pentoxy-1-piperazin-1-ylpropan-1-one
CID 62544248
4-ethoxy-N-(2-methylprop-2-enyl)butanamide
CID 114618597
N-(2-oxo-2-piperazin-1-ylethyl)-3-phenoxypropanamide
CID 28708780
N-butyl-4-oxo-4-piperazin-1-ylbutanamide
CID 39255839
4-ethoxy-N-(pyrrolidin-3-ylmethyl)butanamide
CID 80564687
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 28708756
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
4-[2-[2-(6-ethoxyhexoxy)ethoxy]ethoxy]-1-(4-methylpiperazin-1-yl)butan-1-one
CID 170000941

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide?
The IUPAC name of 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide (CID 78918540) is 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide.
What is the SMILES notation for 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide?
The canonical SMILES for 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide is CCOCCCC(=O)NCC(=O)N1CCNCC1.
What is the InChIKey of 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide?
The InChIKey is WCEMBFZLYNQFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-18-9-3-4-11(16)14-10-12(17)15-7-5-13-6-8-15/h13H,2-10H2,1H3,(H,14,16).
What are the key properties of 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide?
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide has a molecular weight of 257.33 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide is sourced from PubChem (CID 78918540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).