2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide

C14H26N4O3 — CID 79270934

IUPAC2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CNCCOC)CC1
InChIInChI=1S/C14H26N4O3/c1-3-4-16-13(19)12-17-6-8-18(9-7-17)14(20)11-15-5-10-21-2/h3,15H,1,4-12H2,2H3,(H,16,19)
InChIKeyLARJAMAZQNPFPA-UHFFFAOYSA-N
MW298.39 g/mol
LogP-1.33
Rot. Bonds9

About 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 79270934) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID79270934
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(=O)CNCCOC)CC1
InChIInChI=1S/C14H26N4O3/c1-3-4-16-13(19)12-17-6-8-18(9-7-17)14(20)11-15-5-10-21-2/h3,15H,1,4-12H2,2H3,(H,16,19)
InChIKeyLARJAMAZQNPFPA-UHFFFAOYSA-N
XLogP-1.33
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 78912437
N-(3-methoxypropyl)-2-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]acetamide
CID 55432329
2-[4-[2-(propan-2-ylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 60938599
2-(4-butanoylpiperazin-1-yl)-N-prop-2-enylacetamide
CID 60708203
ethyl 4-[2-(2-methoxyethylamino)acetyl]piperazine-1-carboxylate
CID 71628424
2-[4-(2-aminoacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54869753
2-[4-(4-hydroxypentanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 79201471
1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119836738
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119831605
2-[4-(3-chloropropanoyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 54875154
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55498763
2-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 93368513

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 79270934) is 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(=O)CNCCOC)CC1.
What is the InChIKey of 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is LARJAMAZQNPFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-3-4-16-13(19)12-17-6-8-18(9-7-17)14(20)11-15-5-10-21-2/h3,15H,1,4-12H2,2H3,(H,16,19).
What are the key properties of 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 298.39 g/mol, XLogP of -1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 79270934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).