3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide

C12H23N3O3 — CID 109014994

IUPAC3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN1CCN(C(C)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-11(16)15-8-6-14(7-9-15)5-3-12(17)13-4-10-18-2/h3-10H2,1-2H3,(H,13,17)
InChIKeyHLXQZROLNFYESQ-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.70
Rot. Bonds6

About 3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide

3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide (PubChem CID 109014994) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
PubChem CID109014994
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCN1CCN(C(C)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-11(16)15-8-6-14(7-9-15)5-3-12(17)13-4-10-18-2/h3-10H2,1-2H3,(H,13,17)
InChIKeyHLXQZROLNFYESQ-UHFFFAOYSA-N
XLogP-0.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

N-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3128224
N-(2-methylpropyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3127683
2-Cyano-N-[2-(morpholin-4-yl)ethyl]acetamide
CID 2404875
N-(2-cyanoethyl)-3-morpholinopropanamide
CID 657480
N-methyl-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 3126762
N-tert-Butyl-3-morpholin-4-yl-propionamide
CID 840496
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 1540949
Butanamide, N-(4-(4-morpholinyl)-4-oxobutyl)-
CID 3067789
N-(2-Methoxyethyl)-1-piperazineacetamide
CID 7131115
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 3229463
N-butan-2-yl-2-morpholin-4-ylacetamide
CID 17634927

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide (CID 109014994) is 3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCN1CCN(C(C)=O)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide?
The InChIKey is HLXQZROLNFYESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-11(16)15-8-6-14(7-9-15)5-3-12(17)13-4-10-18-2/h3-10H2,1-2H3,(H,13,17).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide?
3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide has a molecular weight of 257.33 g/mol, XLogP of -0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 109014994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).