1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide

C12H23N3O3 — CID 122647169

IUPAC1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide
SMILESCCN1CCN(C(C)=O)C(C(=O)NCCOC)C1
InChIInChI=1S/C12H23N3O3/c1-4-14-6-7-15(10(2)16)11(9-14)12(17)13-5-8-18-3/h11H,4-9H2,1-3H3,(H,13,17)
InChIKeyBAQWISCYOTULQR-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.70
Rot. Bonds5

About 1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide

1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide (PubChem CID 122647169) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide
PubChem CID122647169
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide
SMILESCCN1CCN(C(C)=O)C(C(=O)NCCOC)C1
InChIInChI=1S/C12H23N3O3/c1-4-14-6-7-15(10(2)16)11(9-14)12(17)13-5-8-18-3/h11H,4-9H2,1-3H3,(H,13,17)
InChIKeyBAQWISCYOTULQR-UHFFFAOYSA-N
XLogP-0.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[2-(2-methylprop-2-enoxy)ethyl]pyrrolidine-2-carboxamide
CID 71849160
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 54956631
1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea
CID 96542994
3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 109014994
4-ethyl-N-(2-methoxyethyl)piperazine-1-carbothioamide
CID 3191985
(2S,4S)-4-amino-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 118760263
N,4-diethyl-1-methylsulfonylpiperazine-2-carboxamide
CID 59703859
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide
CID 119504515
1-acetyl-N-[2-(ethylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119504514
1-acetyl-N-[3-[2-[2-[3-(ethynylamino)propoxy]ethoxy]ethoxy]propyl]pyrrolidine-2-carboxamide
CID 135214600
6-ethyl-N-(2-methoxyethyl)-6-azaspiro[3.5]nonane-7-carboxamide;molecular hydrogen
CID 177055555
(2R,4S)-N-(2-methoxyethyl)-4-phenoxy-1-propanoylpyrrolidine-2-carboxamide
CID 110196958

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide?
The IUPAC name of 1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide (CID 122647169) is 1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide is CCN1CCN(C(C)=O)C(C(=O)NCCOC)C1.
What is the InChIKey of 1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide?
The InChIKey is BAQWISCYOTULQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-14-6-7-15(10(2)16)11(9-14)12(17)13-5-8-18-3/h11H,4-9H2,1-3H3,(H,13,17).
What are the key properties of 1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide?
1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-ethyl-N-(2-methoxyethyl)piperazine-2-carboxamide is sourced from PubChem (CID 122647169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).