2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide

C12H23N3O3 — CID 134437094

IUPAC2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide
SMILESCCOCCNC(=O)CC1CNCCN1C(C)=O
InChIInChI=1S/C12H23N3O3/c1-3-18-7-5-14-12(17)8-11-9-13-4-6-15(11)10(2)16/h11,13H,3-9H2,1-2H3,(H,14,17)
InChIKeyPAEVFLJSOKTJLM-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.65
Rot. Bonds6

About 2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide

2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide (PubChem CID 134437094) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide.

Molecular Properties

Compound Name2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide
PubChem CID134437094
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide
SMILESCCOCCNC(=O)CC1CNCCN1C(C)=O
InChIInChI=1S/C12H23N3O3/c1-3-18-7-5-14-12(17)8-11-9-13-4-6-15(11)10(2)16/h11,13H,3-9H2,1-2H3,(H,14,17)
InChIKeyPAEVFLJSOKTJLM-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide?
The IUPAC name of 2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide (CID 134437094) is 2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide.
What is the SMILES notation for 2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide?
The canonical SMILES for 2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide is CCOCCNC(=O)CC1CNCCN1C(C)=O.
What is the InChIKey of 2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide?
The InChIKey is PAEVFLJSOKTJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-18-7-5-14-12(17)8-11-9-13-4-6-15(11)10(2)16/h11,13H,3-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide?
2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide has a molecular weight of 257.33 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperazin-2-yl)-N-(2-ethoxyethyl)acetamide is sourced from PubChem (CID 134437094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).